data_2laa_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 2laa _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.538 ' CG ' HG22 ' A' ' 500' ' ' THR . 5.4 m-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.42 147.38 51.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . 0.478 HG21 ' CG2' ' A' ' 471' ' ' ILE . 27.8 t -131.47 122.57 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.708 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 32.2 m -108.86 135.42 50.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.372 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . 0.475 HG22 ' CE ' ' A' ' 456' ' ' MET . 1.5 mt -131.93 123.46 51.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.708 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.3 m-30 -113.58 111.75 22.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.612 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 3.2 t80 -106.21 138.98 41.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -64.74 140.26 58.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 1.6 ttmm -77.83 104.22 8.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -114.96 -3.96 21.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.571 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 0.8 OUTLIER -128.95 -63.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 111.015 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.8 p30 150.57 -48.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.465 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 11.1 p -140.47 61.39 16.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.465 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.2 Cg_endo -74.98 148.3 35.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.58 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 11.7 m-30 -100.55 151.01 22.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 480' ' ' ALA . 0.0 OUTLIER -131.49 119.28 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.504 ' CD2' ' HA2' ' A' ' 453' ' ' GLY . 1.6 t-160 -96.42 119.69 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.583 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.611 ' CD1' HG13 ' A' ' 469' ' ' VAL . 7.6 p90 -123.78 150.99 43.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.524 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.7 ttt180 -147.1 122.9 5.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.1 Cg_endo -75.0 132.81 15.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -51.76 105.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 102.52 7.77 44.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -114.07 -154.88 11.24 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.06 157.21 30.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.524 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 43.5 m95 -70.04 160.5 31.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.035 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' THR . . . . . 0.512 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -78.05 -179.92 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.373 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -74.04 94.16 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.66 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.46 139.5 67.0 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.0 119.98 6.34 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.018 0.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.66 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 18.33 -135.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 9.9 p -133.62 141.56 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.343 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.48 121.2 12.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.483 ' HG2' ' CG2' ' A' ' 439' ' ' ILE . 0.0 OUTLIER -67.91 128.64 37.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.3 174.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.25 135.8 33.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.579 ' HB1' ' CB ' ' A' ' 464' ' ' TYR . . . -112.81 103.48 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.541 ' O ' ' C ' ' A' ' 461' ' ' ILE . 26.3 pt-20 -58.66 -15.51 12.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.549 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -29.12 -48.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.2 m 155.65 45.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.74 46.27 2.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.138 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.579 ' CB ' ' HB1' ' A' ' 459' ' ' ALA . 3.8 m-85 -127.42 -178.36 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -125.43 150.61 47.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.619 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 48.7 mtpt -128.98 148.3 50.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 456' ' ' MET . 5.0 tp -150.27 132.15 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.4 m -124.5 120.94 33.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.611 HG13 ' CD1' ' A' ' 441' ' ' TYR . 15.8 t -129.53 134.55 63.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -89.15 144.74 25.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.617 ' O ' ' N ' ' A' ' 473' ' ' SER . 10.4 pt -129.38 25.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.646 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -49.5 80.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.646 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.2 m 147.3 -14.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . . . . . . . . . . . -122.17 136.82 54.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -8.33 58.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . 0.417 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 0.7 OUTLIER -154.6 161.95 41.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.458 ' CB ' HG21 ' A' ' 471' ' ' ILE . 0.2 OUTLIER -141.95 142.65 33.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 20.6 mt-10 -97.69 148.87 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . 0.416 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -134.67 158.58 43.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . 0.505 ' O ' HG12 ' A' ' 439' ' ' ILE . . . -146.36 146.74 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.612 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 4.1 t80 -108.38 142.09 39.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.431 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.5 OUTLIER -161.15 135.3 6.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.521 ' HB3' ' CE1' ' A' ' 434' ' ' PHE . 9.6 p-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 498' ' ' PHE . 48.5 m-85 -82.42 158.74 23.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' SER . . . . . 0.537 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 12.0 t -130.67 134.99 47.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 497' ' ' SER . 13.9 m-85 -141.51 152.84 44.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.502 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -102.54 149.17 24.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.979 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.538 HG22 ' CG ' ' A' ' 424' ' ' ASN . 35.1 p -30.57 145.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.404 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 127.51 -144.05 14.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' THR . . . . . 0.435 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 1.3 m -129.39 134.21 47.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 110.411 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 428' ' ' ILE . 0.1 OUTLIER -133.96 149.28 51.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' THR . . . . . 0.402 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 3.2 m -113.23 138.79 49.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 481' ' ' PHE . 34.3 t80 -118.57 123.06 44.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.2 m -127.82 146.82 60.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.545 1.813 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.66 139.23 31.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 110.399 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . 0.522 HG23 ' CE1' ' A' ' 498' ' ' PHE . 3.9 mt -122.71 138.04 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' THR . . . . . 0.402 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.2 OUTLIER -127.14 161.71 27.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 12.5 m -106.53 91.56 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 126.85 134.02 3.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.487 ' HB1' ' CE2' ' A' ' 429' ' ' TYR . . . -58.53 156.0 25.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . 0.4 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.124 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.453 ' CG ' HG22 ' A' ' 500' ' ' THR . 8.1 m-80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -129.03 154.06 47.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.256 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . 0.491 HG23 ' CG2' ' A' ' 471' ' ' ILE . 13.4 t -132.87 124.14 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.719 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 41.0 m -107.77 136.2 47.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.4 mt -132.69 121.79 45.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.719 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 17.2 m-30 -115.25 110.44 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 111.057 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.608 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 19.2 t80 -105.81 138.77 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.598 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.4 OUTLIER -64.53 140.73 58.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.8 ttmm -74.6 110.11 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -126.4 12.56 7.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.644 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 10.6 m-85 -147.18 -57.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 111.047 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.644 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.3 t-20 143.81 -58.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.496 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -133.77 60.09 43.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.496 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.2 Cg_endo -74.99 151.23 39.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.457 ' O ' ' ND2' ' A' ' 482' ' ' ASN . 21.7 m-85 -102.29 152.81 20.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.414 ' C ' ' HA3' ' A' ' 453' ' ' GLY . 4.7 tt -132.09 120.21 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.506 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 1.5 t60 -92.44 118.48 31.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.591 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.599 ' CD1' HG11 ' A' ' 469' ' ' VAL . 6.0 p90 -128.22 152.67 47.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.522 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.9 ttt180 -151.77 124.04 3.97 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.4 Cg_endo -75.04 134.84 18.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.29 104.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 101.07 9.68 44.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -111.95 -152.39 11.92 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.58 153.75 40.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.522 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 39.1 m95 -68.72 158.73 33.62 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' THR . . . . . 0.561 ' CG2' ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -80.05 -174.99 4.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -82.46 95.21 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.659 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.77 138.45 70.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.617 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.2 Cg_endo -75.03 119.66 6.12 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.011 -2.496 . . . . 0.0 110.964 0.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.659 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.94 -131.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 3.2 p -132.62 141.25 45.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.08 113.83 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.477 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -56.15 120.8 8.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 466' ' ' LYS . 1.2 mt-30 -50.8 175.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.37 133.47 34.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.558 ' HB2' ' CB ' ' A' ' 464' ' ' TYR . . . -114.35 103.08 10.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 461' ' ' ILE . 26.3 pt-20 -59.33 -14.91 13.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.553 ' O ' ' CB ' ' A' ' 462' ' ' SER . 3.7 mm -29.46 -47.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.3 m 154.79 43.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.14 47.99 2.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.558 ' CB ' ' HB2' ' A' ' 459' ' ' ALA . 4.3 m-85 -129.27 178.39 6.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -123.18 145.02 48.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.625 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 48.8 mtpt -124.54 146.37 49.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . . . . . . . . . 3.8 tp -151.2 129.68 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.3 m -118.42 121.51 40.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.599 HG11 ' CD1' ' A' ' 441' ' ' TYR . 82.7 t -124.65 130.34 73.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.02 144.9 28.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.622 ' O ' ' N ' ' A' ' 473' ' ' SER . 17.3 pt -129.59 26.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.63 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -49.64 80.84 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.63 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.3 m 148.31 -17.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . . . . . . . . . . . -127.86 141.57 51.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 4.8 m -90.16 3.82 52.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -155.81 149.44 25.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.27 135.32 40.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 1.9 tt0 -106.29 128.68 54.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -147.25 162.99 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -136.52 168.71 18.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.608 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.4 t80 -108.98 144.53 36.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.509 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 1.8 p30 -161.72 136.58 7.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 434' ' ' PHE . 27.1 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 495' ' ' ASN . 3.7 p30 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . 0.589 ' CE1' HD12 ' A' ' 516' ' ' ILE . 63.6 m-85 -97.78 158.3 15.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.2 t -125.81 139.15 53.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.985 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.28 136.29 36.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.547 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -92.57 148.95 21.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.547 ' C ' ' O ' ' A' ' 499' ' ' SER . 22.6 p -26.35 137.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 128.34 -145.69 16.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' THR . . . . . 0.49 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 7.4 m -129.09 137.9 51.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.426 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 3.6 p -133.26 148.91 51.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' THR . . . . . 0.406 ' OG1' ' HD3' ' A' ' 521' ' ' PRO . 14.0 m -112.4 138.06 49.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.382 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . 0.403 ' CD1' ' HD1' ' A' ' 430' ' ' TYR . 2.8 t80 -119.46 122.95 42.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.501 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.0 m -130.12 147.71 66.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . 0.501 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.73 139.55 37.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . 0.589 HD12 ' CE1' ' A' ' 496' ' ' TYR . 1.0 OUTLIER -122.77 138.43 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' THR . . . . . 0.4 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.5 OUTLIER -128.14 161.99 27.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 23.7 m -104.67 93.08 4.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 127.66 131.14 3.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.487 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.68 156.09 35.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . 0.406 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.485 ' HB3' ' CG1' ' A' ' 471' ' ' ILE . 3.5 m-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.13 138.57 49.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . 0.473 HG22 ' CG2' ' A' ' 471' ' ' ILE . 6.3 t -127.89 117.98 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.694 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 45.4 m -105.96 136.6 45.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.2 mp -133.72 121.79 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.694 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.3 m-30 -113.55 110.03 19.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.628 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.1 t80 -107.89 140.13 41.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.587 ' CG ' ' CZ ' ' A' ' 464' ' ' TYR . 3.0 mttp -63.38 139.63 58.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 1.9 ttmt -76.5 107.67 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -117.34 4.2 18.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.537 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 3.5 m-85 -138.72 -66.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.6 p-10 153.2 -48.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.522 ' N ' ' ND2' ' A' ' 435' ' ' ASN . 37.5 p -142.14 60.0 10.0 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.498 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.98 148.59 35.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.56 ' CD2' ' HB2' ' A' ' 452' ' ' PRO . 88.6 m-85 -94.63 156.36 16.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . . . . . . . . . 1.9 tt -135.03 121.79 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.586 ' CD2' ' OG1' ' A' ' 449' ' ' THR . 2.3 t-160 -99.77 119.35 38.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.56 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.657 ' CE1' ' CG1' ' A' ' 469' ' ' VAL . 15.9 p90 -130.78 153.96 48.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.583 ' HB3' ' CZ3' ' A' ' 448' ' ' TRP . 1.3 ttt180 -146.58 125.33 6.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.96 14.87 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -52.76 103.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.29 -0.51 29.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -108.81 -148.63 13.16 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.66 161.42 30.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.583 ' CZ3' ' HB3' ' A' ' 442' ' ' ARG . 57.2 m95 -71.68 157.22 38.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 107.981 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' THR . . . . . 0.586 ' OG1' ' CD2' ' A' ' 440' ' ' HIS . 1.6 p -84.12 157.32 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -59.11 95.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.462 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -56.34 128.08 72.6 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.645 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -75.01 138.89 58.69 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.992 -2.504 . . . . 0.0 110.952 0.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.645 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -37.25 -107.51 0.0 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.479 ' CG1' ' CD1' ' A' ' 467' ' ' ILE . 2.1 p -131.79 151.77 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -78.74 121.03 24.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.557 ' HE2' ' CD2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -54.48 119.41 5.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 466' ' ' LYS . 44.7 mm-40 -50.18 173.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.34 131.89 34.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.564 ' HB3' ' CB ' ' A' ' 464' ' ' TYR . . . -111.91 102.49 10.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 461' ' ' ILE . 12.4 pt-20 -57.07 -16.59 7.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.557 ' C ' ' O ' ' A' ' 460' ' ' GLU . 5.9 mm -28.08 -48.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.9 m 156.57 47.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 93.12 39.87 5.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.587 ' CZ ' ' CG ' ' A' ' 431' ' ' LYS . 2.7 m-30 -117.8 174.0 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.419 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -120.63 144.5 48.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.627 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 54.3 mtpt -129.03 141.3 51.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . 0.479 ' CD1' ' CG1' ' A' ' 454' ' ' VAL . 0.2 OUTLIER -151.2 130.1 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 4.4 m -122.65 128.64 50.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.657 ' CG1' ' CE1' ' A' ' 441' ' ' TYR . 10.7 t -131.8 134.91 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.8 145.52 29.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 473' ' ' SER . 37.8 pt -130.38 21.88 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.656 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -48.53 84.36 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.9 m 146.25 -13.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . . . . . . . . . . . -127.56 136.68 52.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -7.2 56.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.965 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . 0.463 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 1.0 OUTLIER -153.27 161.9 41.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.443 ' HB2' ' CG2' ' A' ' 471' ' ' ILE . 0.2 OUTLIER -145.32 142.98 29.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.491 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 2.8 mt-10 -98.18 148.32 23.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . 0.421 ' HB1' ' CE2' ' A' ' 498' ' ' PHE . . . -139.36 156.32 47.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -145.93 152.61 39.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.628 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.6 t80 -110.42 140.1 44.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.461 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.7 OUTLIER -162.55 135.87 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.488 ' OD2' ' CZ ' ' A' ' 434' ' ' PHE . 31.4 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . 0.509 ' N ' HD21 ' A' ' 495' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . 0.582 ' CD1' HD12 ' A' ' 516' ' ' ILE . 34.0 m-85 -80.13 162.0 24.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 12.4 t -125.18 136.28 53.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.001 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . 0.62 ' CE1' ' CG2' ' A' ' 516' ' ' ILE . 15.8 m-85 -139.38 153.95 47.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -105.04 152.78 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.476 ' CG2' ' OD1' ' A' ' 424' ' ' ASN . 23.9 p -32.58 147.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 120.53 -144.87 17.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' THR . . . . . 0.44 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 2.7 m -127.96 136.32 51.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.459 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.82 149.02 52.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 3.3 m -110.33 139.0 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -116.18 120.71 39.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.512 ' OG1' ' CD ' ' A' ' 431' ' ' LYS . 2.1 m -120.92 146.54 44.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . 0.45 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.212 0 O-C-N 124.466 1.772 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.23 142.41 27.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 110.421 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . 0.62 ' CG2' ' CE1' ' A' ' 498' ' ' PHE . 1.1 mt -123.55 137.78 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.26 162.25 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 60.6 p -106.29 93.02 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 128.55 132.8 3.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.557 ' HB3' ' CE2' ' A' ' 429' ' ' TYR . . . -59.14 153.71 44.64 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.492 ' CG ' HG22 ' A' ' 500' ' ' THR . 7.7 m-80 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.22 148.64 51.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . 0.471 HG23 ' CG2' ' A' ' 471' ' ' ILE . 6.1 t -130.0 120.35 49.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.72 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 34.2 m -107.64 135.23 49.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -132.72 121.14 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.72 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.4 m-30 -114.56 114.46 25.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.598 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 12.4 t80 -106.82 139.88 40.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 3.9 tttt -64.97 140.49 58.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 5.6 ttmt -74.94 103.02 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -120.09 9.68 11.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.6 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 12.2 m-85 -142.23 -61.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.728 . . . . 0.0 110.995 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 11.1 m-20 147.7 -60.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.444 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 68.8 m -132.43 62.13 61.25 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -74.99 151.84 40.05 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.793 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -105.56 144.38 32.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 480' ' ' ALA . 0.3 OUTLIER -127.52 119.2 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 480' ' ' ALA . 0.7 OUTLIER -91.92 119.55 31.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.615 ' CD1' HG11 ' A' ' 469' ' ' VAL . 5.2 p90 -122.19 151.08 41.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.536 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.8 ttt180 -154.81 123.97 3.11 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.3 Cg_endo -75.0 134.56 17.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -52.16 99.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 107.9 7.86 30.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.571 1.17 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -110.29 -152.03 13.29 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.07 157.8 30.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.536 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 42.3 m95 -74.56 156.68 36.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 108.017 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' THR . . . . . 0.456 HG23 ' CE2' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -77.52 -179.51 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -78.77 97.43 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.651 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.74 139.79 68.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.599 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.5 Cg_endo -74.96 120.15 6.44 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.984 -0.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.651 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.8 -132.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 1.4 p -133.38 131.04 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -54.56 110.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.475 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 7.2 mtt -54.68 127.65 29.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.58 173.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.44 134.29 34.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.596 ' HB2' ' CB ' ' A' ' 464' ' ' TYR . . . -112.33 109.49 19.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 461' ' ' ILE . 10.7 pt-20 -64.83 -18.69 65.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.569 ' O ' ' CB ' ' A' ' 462' ' ' SER . 1.0 OUTLIER -29.3 -45.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.8 OUTLIER 154.04 59.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 79.19 52.64 4.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.596 ' CB ' ' HB2' ' A' ' 459' ' ' ALA . 5.2 m-85 -131.69 -179.31 5.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 0.791 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -124.28 148.62 47.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.638 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 53.7 mtpt -129.1 145.79 51.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -151.62 130.26 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 2.3 m -121.11 127.85 52.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.615 HG11 ' CD1' ' A' ' 441' ' ' TYR . 9.7 t -132.42 131.64 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -84.64 145.14 28.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.606 ' O ' ' N ' ' A' ' 473' ' ' SER . 11.3 pt -131.83 26.66 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.653 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -51.6 80.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.653 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.7 m 146.72 -12.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . . . . . . . . . . . -124.05 139.69 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -6.98 59.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -153.77 162.13 41.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.405 HD23 ' CG1' ' A' ' 426' ' ' VAL . 0.0 OUTLIER -140.84 142.74 34.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.496 ' CG ' ' HB3' ' A' ' 495' ' ' ASN . 11.8 tp10 -98.1 139.49 33.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . 0.471 ' HB1' ' CE2' ' A' ' 498' ' ' PHE . . . -130.09 157.14 43.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . 0.513 ' O ' ' CD1' ' A' ' 439' ' ' ILE . . . -144.53 153.41 41.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.598 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 9.1 t80 -110.41 145.94 36.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 481' ' ' PHE . 0.7 OUTLIER -154.25 152.03 29.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.4 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . 0.496 ' HB3' ' CG ' ' A' ' 478' ' ' GLU . 2.0 m-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 498' ' ' PHE . 61.3 m-85 -91.05 147.85 22.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.8 t -122.6 129.89 52.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 496' ' ' TYR . 10.1 m-85 -132.9 143.67 49.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.549 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -99.22 148.25 24.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.549 ' C ' ' O ' ' A' ' 499' ' ' SER . 31.4 p -26.46 138.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 129.94 -146.93 17.8 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' THR . . . . . 0.494 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 2.0 m -129.83 132.98 46.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.41 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.64 149.48 52.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' THR . . . . . 0.405 ' OG1' ' HD3' ' A' ' 521' ' ' PRO . 15.4 m -113.27 138.49 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . 0.421 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 12.1 t80 -118.32 126.24 51.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.505 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.0 m -133.75 147.7 65.45 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.451 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . 0.505 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.553 1.818 . . . . 0.0 111.009 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.36 138.85 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . 0.589 ' CD1' ' CD1' ' A' ' 496' ' ' TYR . 5.8 mt -122.54 138.67 51.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.48 162.71 28.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 28.3 p -105.42 91.89 3.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 131.56 131.77 3.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.576 ' HB3' ' CD2' ' A' ' 429' ' ' TYR . . . -63.96 152.09 88.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.763 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . 0.405 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.572 ' H ' ' CA ' ' A' ' 472' ' ' GLY . 9.9 m-80 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.32 137.25 49.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . 0.498 HG21 ' CG2' ' A' ' 471' ' ' ILE . 14.0 t -129.51 114.06 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.711 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 45.9 m -101.16 135.72 42.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . 0.411 HG13 ' OG ' ' A' ' 503' ' ' SER . 0.9 OUTLIER -131.49 122.3 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.711 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.1 m-30 -113.62 108.92 17.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.641 ' OH ' ' CE1' ' A' ' 481' ' ' PHE . 4.1 t80 -107.81 140.51 40.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.6 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 14.8 tttm -63.57 140.21 58.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 463' ' ' GLY . 0.0 OUTLIER -94.17 116.33 28.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -120.01 -5.36 10.78 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.555 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 0.7 OUTLIER -115.19 -64.8 1.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.0 p30 151.66 -48.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.491 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 60.2 p -137.88 60.35 23.61 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.491 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.05 150.37 37.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.442 ' N ' ' CD1' ' A' ' 438' ' ' TYR . 13.5 m-85 -104.57 150.74 24.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.486 ' CG2' ' HG3' ' A' ' 456' ' ' MET . 1.9 tt -130.31 119.11 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 480' ' ' ALA . 0.9 OUTLIER -94.71 117.25 29.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.572 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.685 ' CE1' ' CG1' ' A' ' 469' ' ' VAL . 3.4 p90 -135.34 152.79 51.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.574 ' HG2' ' CE2' ' A' ' 448' ' ' TRP . 0.0 OUTLIER -149.93 133.79 8.89 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.4 Cg_endo -75.02 133.48 16.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 443' ' ' PRO . . . -39.11 131.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 61.54 27.03 67.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -118.51 -136.22 5.4 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.24 147.95 32.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 110.006 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.629 ' CH2' ' ND2' ' A' ' 495' ' ' ASN . 88.1 m95 -75.27 160.32 30.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' THR . . . . . . . . . . . . . 2.7 m -74.55 -173.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -83.27 104.49 13.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.648 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -54.51 139.23 59.1 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.609 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -75.04 120.43 6.65 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.97 0.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.648 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.63 -130.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.564 HG11 ' CE2' ' A' ' 441' ' ' TYR . 7.1 p -132.11 137.83 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -58.02 108.62 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.489 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 29.3 mtm -55.57 137.54 48.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -64.87 172.07 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.45 131.76 34.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.574 ' HB3' ' CB ' ' A' ' 464' ' ' TYR . . . -111.97 102.25 10.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.0 pt-20 -57.34 -16.18 8.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.565 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -28.66 -46.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.4 m 153.71 44.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.432 ' O ' ' HB3' ' A' ' 432' ' ' LYS . . . 96.27 45.97 2.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.574 ' CB ' ' HB3' ' A' ' 459' ' ' ALA . 3.8 m-85 -126.13 177.75 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.489 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -120.73 151.01 40.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.652 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 51.3 mtpt -130.67 146.72 52.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . 0.483 ' CD1' ' HA ' ' A' ' 456' ' ' MET . 1.5 tp -151.7 130.3 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 3.4 m -123.28 123.23 40.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.685 ' CG1' ' CE1' ' A' ' 441' ' ' TYR . 10.2 t -132.01 135.76 57.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 424' ' ' ASN . 2.1 t70 -83.32 145.59 28.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.516 ' O ' ' O ' ' A' ' 474' ' ' ALA . 12.9 pt -139.82 28.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.572 ' CA ' ' H ' ' A' ' 424' ' ' ASN . . . -53.25 -16.06 4.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.452 1.095 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.71 2.48 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.003 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . 0.516 ' O ' ' O ' ' A' ' 471' ' ' ILE . . . -141.58 128.23 20.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 2.6 t -69.24 -8.97 50.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . 0.452 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 3.6 mt-30 -153.89 162.82 40.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.441 ' HB2' ' CG2' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -142.49 141.89 32.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 12.3 mp0 -98.03 147.78 24.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . 0.447 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -139.23 156.87 46.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -145.17 150.61 37.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.641 ' CE1' ' OH ' ' A' ' 430' ' ' TYR . 1.5 t80 -109.92 137.87 47.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.472 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.3 OUTLIER -161.59 134.31 6.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . 0.629 ' ND2' ' CH2' ' A' ' 448' ' ' TRP . 3.5 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . 0.624 ' CD1' ' CD1' ' A' ' 516' ' ' ILE . 71.0 m-85 -89.2 158.14 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' SER . . . . . 0.483 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 6.8 t -131.06 139.01 49.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 110.027 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 497' ' ' SER . 11.9 m-85 -138.7 147.62 42.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.527 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -102.87 152.13 21.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.942 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.527 ' C ' ' O ' ' A' ' 499' ' ' SER . 26.9 p -27.62 140.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.28 -150.46 17.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' THR . . . . . 0.503 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 4.1 m -128.75 133.38 48.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 110.387 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' SER . . . . . 0.411 ' OG ' HG13 ' A' ' 428' ' ' ILE . 78.0 p -134.57 149.11 50.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 4.8 m -116.08 138.08 51.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.354 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . 0.567 ' OH ' ' CE2' ' A' ' 496' ' ' TYR . 8.1 t80 -119.55 128.63 54.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.9 m -132.92 146.36 60.98 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.58 139.06 30.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . 0.624 ' CD1' ' CD1' ' A' ' 496' ' ' TYR . 4.2 mt -119.86 138.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.73 162.59 26.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 4.7 m -105.49 91.58 3.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.33 135.32 3.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.442 ' HB3' ' CE2' ' A' ' 429' ' ' TYR . . . -59.18 156.66 26.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.456 1.766 . . . . 0.0 110.99 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.494 ' CG ' HG22 ' A' ' 500' ' ' THR . 5.7 m120 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -130.15 147.54 51.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 3.4 t -129.28 120.72 51.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.701 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 51.9 m -106.86 136.26 47.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 2.6 mt -132.54 121.62 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.701 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.9 m-30 -114.65 113.12 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.626 ' CE2' ' CE1' ' A' ' 481' ' ' PHE . 6.5 t80 -108.64 141.19 40.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.572 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -63.76 139.68 58.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 6.0 ttmt -74.82 109.94 8.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.19 18.79 6.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.6 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 12.1 m-85 -152.32 -61.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.747 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 0.5 OUTLIER 148.01 -60.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.477 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 61.0 p -133.28 61.05 52.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.04 147.8 34.27 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.414 ' HB2' ' ND2' ' A' ' 482' ' ' ASN . 21.8 m-85 -98.52 152.22 19.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.465 HG21 ' CG ' ' A' ' 456' ' ' MET . 4.6 tt -131.79 122.51 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.569 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 1.0 OUTLIER -92.72 118.49 31.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.606 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.584 ' CD1' HG12 ' A' ' 469' ' ' VAL . 4.6 p90 -127.25 151.65 48.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.526 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.9 ttt180 -153.35 126.36 4.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.3 Cg_endo -75.01 134.49 17.87 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.799 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.83 101.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 106.86 5.91 35.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -110.44 -151.35 12.85 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.08 162.2 21.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.557 ' HB3' ' CE1' ' A' ' 440' ' ' HIS . 50.3 m95 -77.42 155.73 31.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.05 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' THR . . . . . 0.58 HG23 ' CE2' ' A' ' 441' ' ' TYR . 0.4 OUTLIER -76.31 -175.78 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.407 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -79.08 93.15 5.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.672 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.01 139.49 63.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.577 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.03 119.37 5.92 Favored 'Cis proline' 0 C--N 1.359 1.11 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.03 0.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.672 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 19.87 -136.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -131.94 135.69 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -54.55 108.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.482 ' CE ' ' HB3' ' A' ' 430' ' ' TYR . 7.4 mtp -53.86 127.01 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 466' ' ' LYS . 24.4 mt-30 -54.48 173.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.3 136.56 33.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.662 ' HB1' ' CB ' ' A' ' 464' ' ' TYR . . . -112.09 112.92 24.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.515 ' O ' ' C ' ' A' ' 461' ' ' ILE . 10.4 pt-20 -69.39 -18.36 63.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.558 ' O ' ' CB ' ' A' ' 462' ' ' SER . 0.9 OUTLIER -30.71 -46.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.9 OUTLIER 154.27 58.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 80.39 54.02 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.662 ' CB ' ' HB1' ' A' ' 459' ' ' ALA . 3.5 m-85 -132.58 -176.8 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 0.793 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -126.0 151.23 47.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.624 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 46.5 mtpt -133.32 148.18 51.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 467' ' ' ILE . 0.4 OUTLIER -151.29 136.31 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.7 m -122.97 128.0 49.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.584 HG12 ' CD1' ' A' ' 441' ' ' TYR . 26.1 t -134.27 129.72 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -84.72 144.88 28.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 473' ' ' SER . 29.9 pt -126.92 -39.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.478 ' HA2' ' N ' ' A' ' 424' ' ' ASN . . . 36.14 -90.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -54.61 -10.68 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.96 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . 0.524 ' O ' ' CD1' ' A' ' 471' ' ' ILE . . . -112.0 132.96 54.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.31 -13.77 54.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -151.92 163.32 39.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.576 ' CD2' ' C ' ' A' ' 477' ' ' LEU . 0.2 OUTLIER -140.64 134.28 30.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 2.4 tt0 -104.24 129.0 52.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.267 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . 0.569 ' HA ' ' O ' ' A' ' 440' ' ' HIS . . . -143.53 166.64 24.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -139.78 168.99 18.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.626 ' CE1' ' CE2' ' A' ' 430' ' ' TYR . 1.4 t80 -108.53 144.46 36.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.516 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.9 OUTLIER -160.26 136.25 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.563 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 14.1 p-10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . 0.673 ' CD1' ' CD1' ' A' ' 516' ' ' ILE . 55.3 m-85 -94.23 147.0 23.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 17.8 t -117.87 133.07 56.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 496' ' ' TYR . 8.5 m-85 -133.44 142.34 48.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.494 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -97.81 154.03 17.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.521 HG23 ' CD1' ' A' ' 471' ' ' ILE . 34.9 p -30.47 145.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 121.07 -145.58 17.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' THR . . . . . 0.453 HG23 ' CG2' ' A' ' 427' ' ' THR . 33.9 m -129.4 137.09 50.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 0.0 110.427 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 10.5 p -130.71 148.53 52.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' THR . . . . . 0.405 ' OG1' ' HD3' ' A' ' 521' ' ' PRO . 17.1 m -111.54 138.19 48.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 3.2 t80 -122.0 123.86 42.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.9 m -129.44 146.52 61.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.89 139.55 30.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.433 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . 0.673 ' CD1' ' CD1' ' A' ' 496' ' ' TYR . 3.1 mt -123.82 138.91 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.02 162.61 30.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 20.4 m -103.93 93.08 4.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 134.21 130.49 3.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.599 ' HB3' ' CD2' ' A' ' 429' ' ' TYR . . . -67.26 152.6 95.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . 0.405 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.465 ' H ' ' CA ' ' A' ' 472' ' ' GLY . 14.3 m120 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 137.02 51.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . 0.458 HG22 ' CG2' ' A' ' 471' ' ' ILE . 4.4 t -127.63 120.59 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.701 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 66.1 m -105.72 127.3 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . 0.478 HG21 ' CD1' ' A' ' 439' ' ' ILE . 2.9 mt -125.02 120.57 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.701 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 14.3 m-30 -114.0 113.3 24.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.608 ' CE2' ' O ' ' A' ' 431' ' ' LYS . 11.0 t80 -107.76 140.16 41.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.608 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 3.6 tmtm? -62.73 140.39 58.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 4.2 ttmt -79.56 106.83 11.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -121.47 6.58 10.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.605 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 15.6 m-85 -136.67 -59.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.605 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.3 m120 147.99 -63.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.288 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.468 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 8.3 t -131.07 61.54 60.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.2 Cg_endo -75.01 156.17 42.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 438' ' ' TYR . 7.1 m-85 -107.02 151.24 25.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 480' ' ' ALA . 2.4 tt -131.18 119.08 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.478 ' CD2' ' HA2' ' A' ' 453' ' ' GLY . 1.7 t-160 -93.33 120.74 33.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.611 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.599 ' CD1' HG12 ' A' ' 469' ' ' VAL . 5.7 p90 -123.74 150.68 44.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.507 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.3 ttp180 -147.03 125.04 6.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 133.7 16.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -56.15 102.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 113.93 0.67 24.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -116.34 -148.83 9.14 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 448' ' ' TRP . 12.0 t -121.61 -176.94 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.662 ' CZ2' ' ND2' ' A' ' 495' ' ' ASN . 71.5 m95 -91.08 162.13 14.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 107.995 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' THR . . . . . 0.464 ' O ' ' NE2' ' A' ' 440' ' ' HIS . 0.2 OUTLIER -77.34 -177.85 4.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -77.43 97.93 5.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.647 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.95 139.31 70.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.621 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.4 Cg_endo -74.93 120.53 6.7 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.024 -0.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.647 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.91 -130.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.409 HG13 ' CD1' ' A' ' 467' ' ' ILE . 10.1 p -133.03 138.94 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -60.19 113.14 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.464 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 37.7 mtm -59.39 128.75 38.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 466' ' ' LYS . 23.8 mm-40 -59.06 176.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.87 135.22 33.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.609 ' HB2' ' CB ' ' A' ' 464' ' ' TYR . . . -113.39 109.52 18.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 461' ' ' ILE . 12.8 pt-20 -66.15 -14.15 61.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.545 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -31.19 -46.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.4 m 155.19 44.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.29 48.21 2.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.609 ' CB ' ' HB2' ' A' ' 459' ' ' ALA . 3.2 m-85 -127.33 179.99 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.777 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -122.99 148.3 45.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.604 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 47.6 mtpt -128.24 146.25 50.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . 0.409 ' CD1' HG13 ' A' ' 454' ' ' VAL . 0.3 OUTLIER -151.67 129.12 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 3.2 m -120.93 125.42 47.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.599 HG12 ' CD1' ' A' ' 441' ' ' TYR . 14.7 t -132.99 136.92 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -89.96 146.62 24.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.557 ' O ' ' C ' ' A' ' 472' ' ' GLY . 8.7 pt -129.53 8.32 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.714 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -22.07 108.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.714 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 7.1 t 106.13 -13.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 471' ' ' ILE . . . -106.44 133.97 50.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.55 -15.7 56.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.041 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -155.35 161.73 40.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.488 ' HB2' ' CG2' ' A' ' 471' ' ' ILE . 0.1 OUTLIER -140.71 143.31 34.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.163 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 0.4 OUTLIER -95.99 148.18 22.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -136.28 156.63 48.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . 0.493 ' O ' ' CG1' ' A' ' 439' ' ' ILE . . . -144.76 148.75 34.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.602 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 3.2 t80 -109.01 142.72 39.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.46 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.4 OUTLIER -160.54 148.17 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.574 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 15.9 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . 0.662 ' ND2' ' CZ2' ' A' ' 448' ' ' TRP . 1.7 m-20 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 498' ' ' PHE . 55.1 m-85 -88.17 161.56 17.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' SER . . . . . 0.489 ' C ' ' CD1' ' A' ' 498' ' ' PHE . 40.6 t -129.2 138.78 51.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . 0.581 ' N ' ' CD1' ' A' ' 498' ' ' PHE . 0.8 OUTLIER -141.88 145.34 34.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.525 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -97.68 146.14 25.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.525 ' C ' ' O ' ' A' ' 499' ' ' SER . 41.0 p -28.75 142.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 127.11 -144.1 14.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' THR . . . . . 0.479 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 1.3 m -129.54 131.3 46.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.2 p -130.94 149.31 52.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' THR . . . . . 0.434 ' OG1' ' HD3' ' A' ' 521' ' ' PRO . 37.3 m -111.97 138.69 48.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.448 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -121.26 122.45 39.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.489 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.1 m -129.62 147.31 64.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . 0.489 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.14 140.84 29.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . 0.528 HD11 ' CD1' ' A' ' 496' ' ' TYR . 11.3 mt -123.22 138.96 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.77 162.94 30.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.395 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 4.7 m -105.43 92.48 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 133.69 131.24 3.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.594 ' HB1' ' CE2' ' A' ' 429' ' ' TYR . . . -67.72 147.65 98.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . 0.434 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.482 ' CG ' HG21 ' A' ' 500' ' ' THR . 2.1 m120 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.1 144.47 51.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . 0.413 HG22 ' CG2' ' A' ' 471' ' ' ILE . 2.4 t -129.89 117.03 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.697 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 96.1 m -103.22 135.52 44.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . 0.472 HD11 ' CD2' ' A' ' 498' ' ' PHE . 2.5 mt -133.21 122.15 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.697 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.3 m-30 -114.0 110.91 20.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.611 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.0 t80 -106.79 140.27 39.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.606 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -62.96 140.86 58.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.4 ttmm -82.81 109.73 17.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -126.53 16.03 6.66 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.58 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 28.9 m-85 -146.22 -63.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.58 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.2 m120 149.29 -63.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.464 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 58.1 m -130.25 61.77 60.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.02 144.08 29.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.584 ' CD2' ' HB2' ' A' ' 452' ' ' PRO . 76.4 m-85 -91.28 150.93 21.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.39 125.86 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.476 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 6.2 t60 -100.53 117.97 35.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.604 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.645 ' CE1' ' CG1' ' A' ' 469' ' ' VAL . 4.9 p90 -132.91 151.56 52.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.695 ' NH2' ' HE2' ' A' ' 478' ' ' GLU . 0.0 OUTLIER -153.53 131.99 6.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . 0.419 ' O ' ' HD2' ' A' ' 442' ' ' ARG . 18.1 Cg_endo -75.06 134.75 18.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . 0.454 ' HA ' ' NH2' ' A' ' 442' ' ' ARG . . . -44.43 135.95 4.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 64.49 16.01 60.15 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -109.51 -134.7 7.03 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.36 146.75 30.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.618 ' CE2' ' HG2' ' A' ' 442' ' ' ARG . 86.4 m95 -73.75 156.47 37.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 107.968 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' THR . . . . . 0.412 ' O ' ' CE1' ' A' ' 440' ' ' HIS . 1.7 p -73.32 -174.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.528 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -89.44 95.88 10.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.457 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -52.21 127.24 37.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.64 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -74.97 144.54 81.3 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.99 -0.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -45.74 -116.91 0.0 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 3.5 p -130.67 142.13 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . 0.447 ' O ' ' NE2' ' A' ' 457' ' ' GLN . 0.4 OUTLIER -68.53 115.02 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.494 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -46.28 120.04 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 455' ' ' LYS . 27.5 mm-40 -47.4 174.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.31 133.7 34.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.581 ' HB2' ' CB ' ' A' ' 464' ' ' TYR . . . -113.71 105.4 13.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.5 pt-20 -59.78 -15.5 20.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.561 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.2 mm -29.39 -47.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.0 OUTLIER 154.48 44.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.03 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.15 46.53 2.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.581 ' CB ' ' HB2' ' A' ' 459' ' ' ALA . 3.8 m-85 -126.84 179.89 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.494 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -124.07 147.22 48.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.63 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 51.1 mtpt -127.39 146.98 50.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . . . . . . . . . 3.2 tp -150.97 129.47 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.7 m -121.61 123.5 42.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.645 ' CG1' ' CE1' ' A' ' 441' ' ' TYR . 21.4 t -131.85 133.38 61.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.78 145.48 26.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 473' ' ' SER . 40.0 pt -121.96 -38.15 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.457 ' HA2' ' N ' ' A' ' 424' ' ' ASN . . . 36.88 -91.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -55.29 -13.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.988 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . 0.486 ' CB ' ' HB ' ' A' ' 471' ' ' ILE . . . -108.28 127.29 53.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.31 -13.03 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -153.37 161.78 41.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 471' ' ' ILE . 0.2 OUTLIER -140.61 131.85 26.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.695 ' HE2' ' NH2' ' A' ' 442' ' ' ARG . 0.8 OUTLIER -111.56 135.69 51.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . 0.499 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -149.34 162.92 39.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -130.89 169.05 16.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.611 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.8 t80 -109.16 145.75 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.457 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 1.0 OUTLIER -161.58 137.88 8.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 434' ' ' PHE . 20.1 p-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . 0.412 ' OD1' ' CZ2' ' A' ' 448' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -94.46 153.87 17.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.7 t -112.15 141.36 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . 0.472 ' CD2' HD11 ' A' ' 428' ' ' ILE . 15.6 m-85 -138.0 146.98 43.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.481 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.1 OUTLIER -107.88 154.84 21.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.035 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.482 HG21 ' CG ' ' A' ' 424' ' ' ASN . 36.8 p -32.4 143.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 119.0 -146.41 18.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' THR . . . . . 0.472 ' CG2' HG23 ' A' ' 427' ' ' THR . 11.2 m -129.17 137.84 51.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 9.1 p -132.78 148.68 52.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.946 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 3.8 m -111.02 139.02 46.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.373 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -120.23 125.78 49.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.7 m -133.2 147.0 63.36 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . 0.49 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.599 1.842 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.67 142.57 27.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.74 . . . . 0.0 110.422 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . . . . . . . . . 1.6 mt -123.19 138.36 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.7 162.13 28.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 79.1 p -105.55 93.12 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.976 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.19 131.69 3.41 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.556 ' HB3' ' CE2' ' A' ' 429' ' ' TYR . . . -58.79 156.22 26.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 0.798 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 110.966 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.472 ' HB3' ' CG2' ' A' ' 500' ' ' THR . 26.6 m120 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 426' ' ' VAL . 0.8 OUTLIER -128.1 145.73 50.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . 0.472 ' CG2' HD11 ' A' ' 471' ' ' ILE . 8.8 t -127.6 124.99 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.701 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 54.8 m -109.69 136.48 48.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 2.6 mt -132.51 122.03 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.701 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.6 m-30 -114.47 110.51 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.612 ' CE2' ' O ' ' A' ' 431' ' ' LYS . 19.4 t80 -107.06 139.38 41.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.612 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.4 OUTLIER -64.14 140.27 58.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.3 ttmt -76.82 104.69 7.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -119.37 7.01 12.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.614 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 17.2 m-85 -140.25 -60.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 111.053 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 12.8 m-20 147.07 -60.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.476 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 49.5 m -132.43 61.18 55.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.99 151.24 39.32 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.507 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 65.3 m-85 -99.02 151.31 21.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.436 ' O ' ' HA3' ' A' ' 453' ' ' GLY . 0.1 OUTLIER -133.09 119.12 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 448' ' ' TRP . 2.9 t60 -92.36 121.23 33.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.611 ' CZ ' ' CG2' ' A' ' 449' ' ' THR . 6.6 p90 -129.34 151.78 49.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.53 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.9 ttt180 -153.35 125.11 3.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.333 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.88 18.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.86 101.8 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 104.66 8.47 37.31 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.13 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -111.64 -152.95 12.3 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.9 155.45 35.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.044 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.53 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 36.7 m95 -70.58 158.88 35.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.038 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' THR . . . . . 0.611 ' CG2' ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -81.58 -175.29 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -81.12 96.07 7.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.679 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -58.48 138.77 85.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.619 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.96 118.62 5.41 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.977 -2.51 . . . . 0.0 111.024 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.679 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 13.27 -130.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 14.6 p -132.96 138.69 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.57 110.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.467 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 24.4 mtm -50.82 123.64 9.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 466' ' ' LYS . 13.9 mt-30 -52.83 174.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.63 131.98 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.359 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.575 ' HB3' ' CB ' ' A' ' 464' ' ' TYR . . . -110.5 107.95 17.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.4 pt-20 -59.67 -15.09 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.239 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.576 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.2 mm -30.06 -45.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.2 m 152.76 44.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.036 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 95.72 45.73 2.86 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.575 ' CB ' ' HB3' ' A' ' 459' ' ' ALA . 2.3 m-85 -123.05 -179.82 4.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 0.731 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -124.75 144.34 50.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.637 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 56.5 mtpt -126.13 143.91 50.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . . . . . . . . . 3.3 tp -150.89 129.7 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' THR . . . . . 0.411 HG21 ' CD ' ' A' ' 425' ' ' LYS . 1.5 m -119.0 122.81 43.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.579 HG12 ' CE1' ' A' ' 441' ' ' TYR . 44.1 t -124.54 127.11 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.05 145.3 30.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.618 ' O ' ' N ' ' A' ' 473' ' ' SER . 11.1 pt -131.68 28.0 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.638 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -51.63 78.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.2 m 148.27 -15.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 0.742 . . . . 0.0 109.944 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . . . . . . . . . . . -123.57 135.49 54.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.0 -8.19 57.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -154.51 162.4 41.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.553 ' CD2' ' C ' ' A' ' 477' ' ' LEU . 0.2 OUTLIER -141.95 139.36 32.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 3.2 tt0 -107.34 128.08 54.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . 0.54 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -144.85 162.34 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -138.47 168.54 19.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.594 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.1 t80 -109.53 145.42 36.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.506 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.5 OUTLIER -162.33 135.61 6.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.432 ' OD2' ' N ' ' A' ' 483' ' ' ASP . 10.6 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . 0.476 ' N ' ' OD1' ' A' ' 495' ' ' ASN . 6.4 p-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . 0.48 ' O ' ' CG ' ' A' ' 478' ' ' GLU . 47.7 m-85 -95.92 152.79 18.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 48.5 t -115.41 139.1 50.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 496' ' ' TYR . 8.9 m-85 -137.59 143.21 41.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.508 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -100.06 149.63 23.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.516 HG22 ' CD1' ' A' ' 471' ' ' ILE . 41.4 p -28.67 141.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 125.51 -146.63 16.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.434 1.084 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' THR . . . . . 0.445 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 8.1 m -129.87 138.59 51.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.455 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 6.3 p -133.86 148.02 51.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 6.0 m -115.19 137.95 51.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.447 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -121.76 118.96 30.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 3.0 m -118.69 121.85 30.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.477 1.778 . . . . 0.0 111.03 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.93 138.46 31.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 110.453 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . . . . . . . . . 4.3 mt -123.58 138.07 54.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 1.2 p -126.5 162.06 26.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 58.5 m -105.38 91.5 3.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 132.94 132.57 3.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.552 1.158 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.473 ' HB3' ' CE2' ' A' ' 429' ' ' TYR . . . -59.27 156.58 28.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.426 ' CG ' HG22 ' A' ' 500' ' ' THR . 10.8 m-80 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 470' ' ' ASP . 5.8 tppt? -128.7 146.34 50.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . 0.517 ' CG2' HD12 ' A' ' 471' ' ' ILE . 9.9 t -133.77 123.8 46.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.693 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 74.5 m -112.21 134.18 53.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -132.93 122.76 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.693 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.2 m-30 -114.2 113.06 24.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.614 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.2 t80 -107.39 140.55 40.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.555 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -62.71 140.78 58.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.8 ttmt -74.07 117.53 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.41 10.02 6.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.557 ' CZ ' ' OD2' ' A' ' 483' ' ' ASP . 0.4 OUTLIER -144.14 -70.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 110.959 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 0.4 OUTLIER 154.42 -25.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.505 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 46.0 m -166.29 59.34 0.54 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.03 150.57 38.22 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 20.8 m-85 -97.74 152.11 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.463 ' HB ' ' CE ' ' A' ' 456' ' ' MET . 0.2 OUTLIER -132.9 123.72 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.73 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 21.6 t60 -96.46 122.98 39.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.624 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.664 ' CE1' ' CG1' ' A' ' 469' ' ' VAL . 6.7 p90 -129.97 152.47 49.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.519 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.5 ttt180 -152.65 125.92 4.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 134.95 18.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.796 . . . . 0.0 111.051 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -54.48 102.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 105.69 5.71 38.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -109.16 -150.24 13.69 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.28 154.98 44.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.777 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.73 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 41.3 m95 -69.65 158.29 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 0.0 108.039 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' THR . . . . . 0.517 HG22 ' CZ ' ' A' ' 441' ' ' TYR . 2.1 m -83.63 -171.16 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.365 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -80.67 100.15 8.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.599 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -63.99 132.07 95.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.658 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -75.05 121.9 7.77 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.981 0.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.658 ' C ' ' O ' ' A' ' 452' ' ' PRO . . . -0.47 -118.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.403 ' CG1' HD13 ' A' ' 467' ' ' ILE . 0.3 OUTLIER -132.36 157.56 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.262 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -78.84 106.07 10.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.474 ' HE2' ' CD2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -42.18 120.85 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.94 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 466' ' ' LYS . 41.6 mm-40 -52.68 174.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.52 133.83 34.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.628 ' HB2' ' CB ' ' A' ' 464' ' ' TYR . . . -113.74 108.04 16.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' ' 461' ' ' ILE . 10.6 pt-20 -63.25 -18.77 63.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' A' ' 462' ' ' SER . 1.0 OUTLIER -29.66 -47.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.2 m 155.73 60.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 77.98 47.6 8.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.628 ' CB ' ' HB2' ' A' ' 459' ' ' ALA . 4.2 m-85 -125.14 177.33 6.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -122.96 144.91 48.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.611 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 50.9 mtpt -125.01 146.28 49.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . 0.403 HD13 ' CG1' ' A' ' 454' ' ' VAL . 3.5 tp -151.28 128.89 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 3.4 m -125.0 121.24 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.664 ' CG1' ' CE1' ' A' ' 441' ' ' TYR . 15.0 t -130.9 140.48 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . 0.407 ' HA ' ' HA ' ' A' ' 425' ' ' LYS . 3.2 t70 -89.97 146.75 24.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.517 HD12 ' CG2' ' A' ' 426' ' ' VAL . 7.3 pt -116.21 -14.38 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 74.01 -101.42 1.22 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.7 -12.83 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.803 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . 0.493 ' CB ' ' HB ' ' A' ' 471' ' ' ILE . . . -52.71 124.58 14.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 1.4 t -74.19 -15.61 61.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.003 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . 0.402 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 7.8 mt-30 -156.77 163.28 39.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.271 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.86 134.98 32.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 0.5 OUTLIER -102.02 129.26 48.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . 0.531 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -147.69 162.02 40.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . 0.45 ' O ' ' CD1' ' A' ' 439' ' ' ILE . . . -138.67 168.7 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.614 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.7 t80 -110.49 146.67 35.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.518 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 3.6 p30 -162.17 146.85 12.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.557 ' OD2' ' CZ ' ' A' ' 434' ' ' PHE . 30.7 p30 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 495' ' ' ASN . 6.5 p-10 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . 0.627 ' CD1' ' CD1' ' A' ' 516' ' ' ILE . 84.3 m-85 -94.46 156.98 16.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 28.3 t -120.0 136.37 54.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -134.22 140.75 46.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.526 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -99.14 151.16 21.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.028 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.526 ' C ' ' O ' ' A' ' 499' ' ' SER . 23.9 p -27.75 140.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.438 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 122.57 -150.67 16.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' THR . . . . . 0.506 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 10.4 m -127.98 136.59 51.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 110.422 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.87 147.53 52.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.96 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 8.5 m -108.26 138.77 43.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -120.8 125.56 47.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.498 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.8 m -131.86 147.03 64.29 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.444 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . 0.498 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.15 140.43 29.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.399 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . 0.627 ' CD1' ' CD1' ' A' ' 496' ' ' TYR . 4.8 mt -123.5 137.91 55.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.57 161.34 29.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.422 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 6.2 m -104.56 92.26 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.944 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 127.0 131.99 3.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.581 ' HB1' ' CE2' ' A' ' 429' ' ' TYR . . . -60.12 155.17 46.64 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.112 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.456 ' CG ' HG22 ' A' ' 500' ' ' THR . 12.8 m120 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.18 139.14 52.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . 0.463 ' CG2' HD11 ' A' ' 471' ' ' ILE . 29.1 t -129.17 128.49 66.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.702 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 88.3 m -117.81 133.58 55.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.36 121.91 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.702 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 14.1 m-30 -113.09 114.4 26.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.604 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 28.3 t80 -107.9 139.86 41.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 9.8 tttt -63.0 140.21 58.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.6 ttmm -76.26 105.2 7.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -123.15 13.27 8.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.595 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 32.5 m-85 -145.59 -64.1 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.595 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 7.8 p-10 148.34 -54.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.475 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 24.4 p -137.93 61.06 26.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.475 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.1 Cg_endo -75.02 146.23 32.31 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.506 1.793 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.531 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 56.0 m-85 -94.19 148.83 21.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.445 ' C ' HD12 ' A' ' 439' ' ' ILE . 0.1 OUTLIER -131.63 119.47 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.578 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 5.2 t60 -93.44 125.8 38.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.648 ' CE1' ' CG1' ' A' ' 469' ' ' VAL . 8.7 p90 -133.98 153.13 51.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.5 ' O ' HD22 ' A' ' 477' ' ' LEU . 1.3 ttt180 -156.38 126.26 3.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.44 17.79 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.7 99.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.39 2.98 29.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -107.02 -149.39 15.86 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.97 157.63 40.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.578 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 50.5 m95 -73.18 156.88 38.14 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 441' ' ' TYR . 1.3 m -83.6 -174.24 5.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -76.85 97.72 4.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.669 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -62.36 137.79 96.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.659 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.0 119.52 6.02 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.026 -0.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.669 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 8.37 -126.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.92 150.74 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . 0.452 ' O ' ' NE2' ' A' ' 457' ' ' GLN . 2.5 ttmt -69.89 111.34 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.469 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 24.8 mtm -50.84 126.83 16.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 455' ' ' LYS . 35.1 mm-40 -53.91 174.4 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.251 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.36 131.89 35.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.606 ' HB1' ' CB ' ' A' ' 464' ' ' TYR . . . -108.57 117.11 33.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 461' ' ' ILE . 11.3 pt-20 -67.52 -19.7 65.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.557 ' O ' ' CB ' ' A' ' 462' ' ' SER . 0.9 OUTLIER -29.58 -45.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.3 m 154.29 58.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 78.34 52.45 5.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.053 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.606 ' CB ' ' HB1' ' A' ' 459' ' ' ALA . 1.9 m-85 -126.96 -178.13 4.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 111.018 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -125.06 146.06 49.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.629 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 47.4 mtpt -130.21 143.76 50.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . 0.429 ' CD1' ' HA ' ' A' ' 456' ' ' MET . 3.2 tp -151.0 130.63 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 5.3 m -127.28 121.78 32.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.41 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.648 ' CG1' ' CE1' ' A' ' 441' ' ' TYR . 4.2 t -132.24 137.68 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 472' ' ' GLY . 4.4 t70 -82.51 146.48 29.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.538 ' O ' ' C ' ' A' ' 472' ' ' GLY . 16.7 pt -125.79 7.83 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.678 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -26.09 116.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.039 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.678 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 4.7 t 102.02 -12.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.977 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 471' ' ' ILE . . . -114.74 130.1 56.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.42 -11.84 59.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . 0.408 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 4.5 mt-30 -154.75 161.37 41.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.522 ' C ' ' CD1' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -132.46 142.07 49.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.446 ' N ' ' CD2' ' A' ' 477' ' ' LEU . 0.5 OUTLIER -115.18 128.93 56.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . 0.521 ' HA ' ' O ' ' A' ' 440' ' ' HIS . . . -147.23 163.54 36.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . 0.521 ' CB ' ' OD1' ' A' ' 495' ' ' ASN . . . -138.03 168.43 19.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.604 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.3 t80 -109.4 145.12 36.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.483 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.4 OUTLIER -162.17 138.75 7.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.527 ' CB ' ' CE2' ' A' ' 434' ' ' PHE . 18.1 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . 0.521 ' OD1' ' CB ' ' A' ' 480' ' ' ALA . 1.2 m-80 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 498' ' ' PHE . 61.2 m-85 -85.17 151.6 23.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 15.3 t -115.15 133.97 55.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . 0.611 ' N ' ' CD1' ' A' ' 498' ' ' PHE . 0.6 OUTLIER -135.19 143.19 46.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.55 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -99.61 145.46 27.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.55 ' C ' ' O ' ' A' ' 499' ' ' SER . 45.4 p -26.62 139.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 125.5 -144.95 15.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 10.0 m -129.75 137.96 50.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.413 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.7 p -133.03 148.75 52.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 5.1 m -108.09 139.0 43.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.438 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -123.06 123.67 41.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 4.0 m -130.46 146.05 60.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.397 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.84 139.74 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . 0.507 HD13 ' CE1' ' A' ' 496' ' ' TYR . 3.1 mt -123.43 139.57 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.55 162.3 27.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 13.6 p -108.01 92.94 4.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 126.88 133.45 3.82 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.453 ' HB1' ' CD2' ' A' ' 429' ' ' TYR . . . -59.07 153.33 46.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 0.799 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 472' ' ' GLY . 17.9 m120 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 146.7 50.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 13.6 t -132.05 124.21 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.351 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.696 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 88.1 m -111.89 135.09 52.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.444 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.2 mp -132.12 122.66 49.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.696 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.3 m-30 -114.33 111.32 21.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.652 ' CE1' ' O ' ' A' ' 431' ' ' LYS . 0.1 OUTLIER -107.18 139.18 42.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.652 ' O ' ' CE1' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -62.65 139.98 58.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 1.4 ttmm -72.86 114.67 11.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -124.43 1.36 8.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 483' ' ' ASP . 1.0 OUTLIER -135.68 -68.25 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 111.016 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.5 p30 152.97 -29.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 97.5 p -164.24 60.4 0.81 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.054 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 430' ' ' TYR . 18.3 Cg_endo -74.97 160.5 40.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.462 ' O ' ' ND2' ' A' ' 482' ' ' ASN . 27.8 m-85 -104.97 150.87 24.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.51 ' CD1' ' O ' ' A' ' 480' ' ' ALA . 0.3 OUTLIER -131.5 118.98 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 480' ' ' ALA . 1.8 t-160 -92.27 123.55 35.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.61 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.591 ' CD1' HG12 ' A' ' 469' ' ' VAL . 7.1 p90 -125.95 151.13 47.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.538 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.0 ttt180 -152.23 122.84 3.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.33 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.1 Cg_endo -75.03 134.08 17.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.55 1.816 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -52.94 98.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.85 4.22 28.02 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -108.98 -150.91 14.25 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.5 156.79 38.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.538 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 33.8 m95 -71.06 160.02 33.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' THR . . . . . 0.55 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -82.24 -178.91 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -78.84 99.43 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.663 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -57.32 140.19 79.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.0 120.01 6.36 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.017 -0.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.663 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.81 -129.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 10.2 p -132.6 139.76 49.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -60.1 121.37 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.51 ' CE ' ' HB3' ' A' ' 430' ' ' TYR . 34.7 mtp -70.91 138.06 49.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.24 174.32 5.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.82 135.28 35.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 464' ' ' TYR . . . -111.0 106.24 15.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.1 pt-20 -60.92 -13.38 15.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.571 ' O ' ' CB ' ' A' ' 462' ' ' SER . 3.6 mm -32.84 -46.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 153.72 44.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.936 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.13 48.34 2.26 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.59 ' CD2' ' HA ' ' A' ' 431' ' ' LYS . 3.6 m-85 -129.24 -177.2 4.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -125.15 150.27 47.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.632 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 47.5 mtpt -129.47 148.45 51.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 456' ' ' MET . 4.9 tp -150.6 129.36 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.8 m -121.35 119.26 31.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.591 HG12 ' CD1' ' A' ' 441' ' ' TYR . 25.5 t -129.84 128.67 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 472' ' ' GLY . 2.9 t70 -83.71 146.64 28.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.534 ' HB ' ' CB ' ' A' ' 474' ' ' ALA . 9.2 pt -120.3 -10.26 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.428 ' N ' ' OD1' ' A' ' 470' ' ' ASP . . . 72.87 -100.36 1.01 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.73 -13.99 15.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . 0.534 ' CB ' ' HB ' ' A' ' 471' ' ' ILE . . . -40.05 130.83 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.61 -22.02 60.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -157.41 163.25 38.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.686 ' C ' ' CD1' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -136.83 141.33 42.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.48 ' O ' HD21 ' A' ' 477' ' ' LEU . 0.2 OUTLIER -97.98 142.54 29.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . 0.443 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -134.0 156.17 48.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . 0.51 ' O ' ' CD1' ' A' ' 439' ' ' ILE . . . -145.63 146.81 31.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.521 ' CE1' ' CE2' ' A' ' 430' ' ' TYR . 4.1 t80 -109.76 138.86 45.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 438' ' ' TYR . 2.2 p30 -162.93 135.3 5.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 17.8 p-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . 0.522 ' ND2' ' CZ2' ' A' ' 448' ' ' TRP . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 498' ' ' PHE . 33.1 m-85 -83.4 158.5 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 32.7 t -131.91 128.14 37.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.047 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . 0.605 ' CZ ' ' HB3' ' A' ' 496' ' ' TYR . 5.7 m-85 -132.99 151.24 52.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -100.24 149.73 23.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.002 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.538 ' C ' ' O ' ' A' ' 499' ' ' SER . 34.2 p -27.35 140.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 129.0 -148.3 18.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 18.1 m -127.49 138.16 52.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.367 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.3 p -136.16 149.42 48.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 2.9 m -115.64 138.86 50.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -119.63 126.45 51.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.489 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.4 m -127.89 147.32 62.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . 0.489 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.205 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.18 138.14 31.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.37 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . 0.587 HG21 ' CE1' ' A' ' 498' ' ' PHE . 2.0 mt -124.04 139.61 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.49 162.23 28.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 2.6 m -106.39 94.08 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 132.37 134.78 3.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.413 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.25 156.03 31.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.438 ' CG ' HG21 ' A' ' 500' ' ' THR . 24.2 m120 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -128.08 142.56 51.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . 0.484 HG22 ' CG2' ' A' ' 471' ' ' ILE . 13.5 t -129.15 124.76 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.719 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 23.8 m -113.69 136.15 53.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.389 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . 0.472 HD12 ' CB ' ' A' ' 479' ' ' ALA . 5.4 mt -132.76 122.85 47.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.719 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 17.5 m-30 -115.14 110.77 20.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.642 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 5.1 t80 -107.91 140.24 41.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -64.85 140.62 58.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.5 ttmm -74.46 118.5 17.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.83 1.34 6.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 483' ' ' ASP . 0.2 OUTLIER -134.51 -68.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.535 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.6 p30 152.54 -32.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.502 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 79.1 p -157.06 59.72 1.89 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.054 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.96 152.56 41.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.811 . . . . 0.0 111.064 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.432 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 32.9 m-85 -101.99 146.21 28.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.43 ' C ' ' HA3' ' A' ' 453' ' ' GLY . 7.3 tt -123.49 117.32 50.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.844 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 47.8 t60 -94.04 117.22 29.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.625 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.657 ' CE1' ' CG1' ' A' ' 469' ' ' VAL . 10.4 p90 -130.19 153.89 48.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.588 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.9 ttt180 -151.42 123.71 4.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.12 17.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.25 99.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.39 4.82 28.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -110.69 -151.88 12.77 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.56 156.35 39.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.977 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.844 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 35.1 m95 -68.48 164.44 21.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.023 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' THR . . . . . 0.509 HG22 ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -87.49 177.48 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -74.03 94.24 2.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.648 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -54.96 139.19 63.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.599 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.97 120.17 6.46 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.004 -0.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.648 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.95 -133.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.469 HG12 ' CD1' ' A' ' 467' ' ' ILE . 2.6 p -132.26 135.76 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -57.24 109.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.539 ' HE1' ' CD2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -52.9 124.93 15.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 466' ' ' LYS . 6.8 mm100 -51.3 174.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.45 134.02 34.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.587 ' HB2' ' CB ' ' A' ' 464' ' ' TYR . . . -113.8 103.37 11.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.1 pt-20 -60.08 -15.5 23.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.567 ' O ' ' CB ' ' A' ' 462' ' ' SER . 5.2 mm -28.95 -47.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.3 m 153.85 44.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.49 47.48 2.15 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.587 ' CB ' ' HB2' ' A' ' 459' ' ' ALA . 4.0 m-85 -128.73 177.06 7.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.43 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -122.31 147.72 45.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.653 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 54.2 mtpt -130.32 144.0 51.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . 0.469 ' CD1' HG12 ' A' ' 454' ' ' VAL . 0.2 OUTLIER -150.55 130.06 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 5.2 m -123.77 127.84 48.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.657 ' CG1' ' CE1' ' A' ' 441' ' ' TYR . 4.4 t -133.18 136.37 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -85.36 145.48 27.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' A' ' 473' ' ' SER . 8.4 pt -129.33 24.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.648 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -48.28 83.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.9 m 147.1 -15.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . . . . . . . . . . . -125.9 141.26 52.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.113 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 15.2 m -88.75 1.84 54.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . 0.451 ' NE2' ' OG ' ' A' ' 497' ' ' SER . 2.5 tm0? -155.36 146.79 22.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 110.345 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.647 ' C ' ' CD1' ' A' ' 477' ' ' LEU . 0.1 OUTLIER -131.7 141.68 49.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.518 ' C ' HD12 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -99.35 145.32 27.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.217 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . 0.472 ' CB ' HD12 ' A' ' 428' ' ' ILE . . . -140.04 158.23 44.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . 0.496 ' CB ' ' OD1' ' A' ' 495' ' ' ASN . . . -151.06 151.22 31.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.642 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.3 t80 -110.81 139.87 45.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.47 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.4 OUTLIER -161.41 144.05 12.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.551 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 30.0 p-10 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . 0.517 ' ND2' ' CH2' ' A' ' 448' ' ' TRP . 9.3 m-20 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . 0.592 ' HB3' ' CZ ' ' A' ' 498' ' ' PHE . 65.8 m-85 -86.48 157.24 19.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 497' ' ' SER . . . . . 0.539 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 1.5 t -131.3 137.25 48.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . 0.592 ' CZ ' ' HB3' ' A' ' 496' ' ' TYR . 9.9 m-85 -142.17 141.97 32.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.549 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -90.44 149.92 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.549 ' C ' ' O ' ' A' ' 499' ' ' SER . 22.2 p -26.54 138.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 130.0 -148.4 18.47 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 502' ' ' THR . . . . . 0.474 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 5.9 m -128.18 137.9 52.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 5.1 p -133.86 148.73 51.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 3.9 m -110.74 139.27 46.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 110.422 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . 0.422 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 20.4 t80 -121.32 125.31 46.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.515 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.2 m -130.65 147.8 67.52 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . 0.515 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.84 138.49 31.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 0.798 . . . . 0.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . 0.576 HD11 ' CE1' ' A' ' 496' ' ' TYR . 2.5 mt -123.39 138.19 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.49 162.11 27.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 5.1 m -105.41 93.43 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 128.68 132.08 3.49 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.34 155.84 33.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.487 ' CG ' HG21 ' A' ' 500' ' ' THR . 3.1 m-80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -123.4 152.18 41.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.05 132.81 69.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.708 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 53.0 m -122.25 132.5 54.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.427 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.6 mt -132.21 123.19 50.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.708 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.5 m-30 -114.37 110.82 20.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 431' ' ' LYS . 16.5 t80 -105.59 139.01 40.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.611 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -64.98 139.52 58.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 0.4 OUTLIER -73.9 112.05 9.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -121.19 0.04 11.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 483' ' ' ASP . 0.7 OUTLIER -134.28 -69.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 111.033 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.508 ' ND2' ' N ' ' A' ' 436' ' ' SER . 0.8 OUTLIER 155.18 -41.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.508 ' N ' ' ND2' ' A' ' 435' ' ' ASN . 28.8 t -147.71 60.03 5.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.498 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.97 153.25 41.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 9.8 m-30 -103.25 149.69 24.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.463 ' CG1' ' O ' ' A' ' 480' ' ' ALA . 3.7 tt -132.46 118.09 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 480' ' ' ALA . 1.9 t-160 -92.93 121.8 34.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.572 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.604 ' CE1' HG11 ' A' ' 469' ' ' VAL . 7.2 p90 -124.65 151.24 45.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.529 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.4 ttt180 -152.2 121.29 3.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.97 18.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -52.21 104.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 104.95 6.46 39.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.123 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -110.21 -150.2 12.66 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.88 154.54 46.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.529 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 36.6 m95 -69.05 157.2 37.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' THR . . . . . 0.442 ' H ' ' CD2' ' A' ' 440' ' ' HIS . 1.4 m -77.6 -175.81 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -77.8 95.54 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.658 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.23 139.26 65.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.607 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.94 120.37 6.58 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.977 -2.509 . . . . 0.0 111.028 -0.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.658 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.79 -137.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 9.9 p -133.28 141.71 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.259 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.72 132.56 52.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.403 ' HE3' ' CD2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -76.93 127.88 33.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 466' ' ' LYS . 14.7 mm-40 -53.9 175.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.3 135.09 33.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.526 ' HB2' ' CB ' ' A' ' 464' ' ' TYR . . . -114.84 103.45 10.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.1 pt-20 -61.43 -14.11 25.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.531 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.1 mm -29.95 -48.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 156.88 43.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.16 48.16 2.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 431' ' ' LYS . 6.1 m-85 -129.99 173.6 10.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -116.64 150.47 38.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.678 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 54.8 mtpt -130.08 146.13 51.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.254 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.48 128.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 2.5 m -123.99 123.89 41.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.604 HG11 ' CE1' ' A' ' 441' ' ' TYR . 5.6 t -134.63 137.68 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -85.55 146.33 26.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.602 ' O ' ' C ' ' A' ' 472' ' ' GLY . 7.7 pt -123.31 -0.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.649 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -17.51 114.08 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.5 t 99.15 -9.34 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 471' ' ' ILE . . . -114.27 135.09 54.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.53 -10.98 57.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -154.87 163.78 39.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.664 ' C ' ' CD1' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -142.73 141.12 31.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.537 ' N ' HD21 ' A' ' 477' ' ' LEU . 0.4 OUTLIER -96.63 147.56 23.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . 0.414 ' CB ' ' CE1' ' A' ' 498' ' ' PHE . . . -137.91 155.88 48.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . 0.514 ' CB ' ' OD1' ' A' ' 495' ' ' ASN . . . -145.06 148.71 33.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.581 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 4.9 t80 -110.27 145.45 37.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.47 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.4 OUTLIER -161.3 136.63 7.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.567 ' HB3' ' CE1' ' A' ' 434' ' ' PHE . 4.7 p-10 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . 0.514 ' OD1' ' CB ' ' A' ' 480' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 498' ' ' PHE . 71.0 m-85 -77.33 155.35 32.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 497' ' ' SER . . . . . 0.462 ' C ' ' CD1' ' A' ' 498' ' ' PHE . 17.2 t -125.91 138.23 53.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . 0.607 ' N ' ' CD1' ' A' ' 498' ' ' PHE . 0.5 OUTLIER -140.78 140.04 34.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.564 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -92.93 147.29 22.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.988 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.564 ' C ' ' O ' ' A' ' 499' ' ' SER . 32.2 p -25.21 136.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 130.02 -147.47 18.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 502' ' ' THR . . . . . 0.451 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 7.4 m -129.61 138.32 51.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 0.775 . . . . 0.0 110.39 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 59.7 p -135.32 149.6 49.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.058 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 504' ' ' THR . . . . . 0.401 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 5.2 m -108.42 138.91 43.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -118.63 124.29 47.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.51 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 1.6 m -132.79 148.42 69.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . 0.51 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 515' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 506' ' ' THR . 0.8 OUTLIER -94.15 141.97 27.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.421 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . 0.513 ' CD1' ' CD1' ' A' ' 496' ' ' TYR . 2.7 mt -122.36 139.36 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 517' ' ' THR . . . . . 0.401 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.0 OUTLIER -129.66 161.57 30.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.415 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 12.4 m -105.82 93.63 4.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 124.0 133.99 4.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.495 ' HB3' ' CE2' ' A' ' 429' ' ' TYR . . . -58.73 156.31 25.25 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.519 1.8 . . . . 0.0 110.976 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.515 ' CG ' HG22 ' A' ' 500' ' ' THR . 15.5 m-80 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.35 144.81 51.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 471' ' ' ILE . 14.0 t -128.78 124.98 62.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.649 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 97.8 m -115.24 135.47 54.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.2 mp -133.22 123.27 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.649 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.9 m-30 -114.17 111.29 21.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.597 ' CE1' ' O ' ' A' ' 431' ' ' LYS . 1.3 t80 -107.79 140.64 40.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.597 ' O ' ' CE1' ' A' ' 430' ' ' TYR . 12.4 tmtt? -63.9 140.96 58.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.9 ttmm -78.7 107.48 11.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -122.91 9.61 9.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.645 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 14.2 m-85 -138.87 -59.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.645 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.3 t-20 143.98 -56.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.487 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 3.2 m -135.33 60.35 38.08 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.487 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.1 Cg_endo -75.03 151.2 39.11 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 7.6 m-85 -102.48 152.42 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.175 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.51 ' CG2' HG12 ' A' ' 467' ' ' ILE . 0.0 OUTLIER -133.96 124.41 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.672 ' CD2' ' OG1' ' A' ' 449' ' ' THR . 1.9 t-160 -92.87 140.84 29.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.603 ' CE1' HG22 ' A' ' 449' ' ' THR . 10.2 p90 -144.56 151.69 39.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.593 ' HB3' ' CZ3' ' A' ' 448' ' ' TRP . 1.0 OUTLIER -157.3 123.96 2.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.76 15.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -52.08 105.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 109.69 -0.61 30.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -102.74 -139.68 10.58 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.94 155.26 47.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.593 ' CZ3' ' HB3' ' A' ' 442' ' ' ARG . 49.0 m95 -68.56 157.28 36.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 108.044 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' THR . . . . . 0.672 ' OG1' ' CD2' ' A' ' 440' ' ' HIS . 0.6 OUTLIER -89.28 159.55 17.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -59.6 94.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.451 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -55.53 128.0 67.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.605 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.93 138.33 55.45 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.043 -2.482 . . . . 0.0 111.016 -0.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.605 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -35.9 -103.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 13.0 p -130.83 152.46 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.751 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -78.06 120.0 22.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.578 ' HE1' ' CD2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -52.75 117.55 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.053 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -52.64 174.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.62 135.65 35.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.603 ' HB1' ' CB ' ' A' ' 464' ' ' TYR . . . -113.96 104.92 12.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.3 pt-20 -60.36 -14.27 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.554 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.8 mm -31.14 -47.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.9 OUTLIER 155.22 44.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.17 47.09 2.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.603 ' CB ' ' HB1' ' A' ' 459' ' ' ALA . 3.5 m-85 -127.71 -176.98 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.754 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -127.11 147.17 50.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.632 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 47.2 mtpt -127.04 148.61 50.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . 0.51 HG12 ' CG2' ' A' ' 439' ' ' ILE . 3.3 tp -150.3 133.0 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 2.5 m -126.4 123.41 37.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.599 HG13 ' CE1' ' A' ' 441' ' ' TYR . 3.4 t -131.85 134.82 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -85.17 146.05 27.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.598 ' O ' ' N ' ' A' ' 473' ' ' SER . 10.9 pt -132.12 23.65 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.658 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -48.53 83.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.658 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.9 m 146.13 -14.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . . . . . . . . . . . -124.22 132.57 53.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -7.58 53.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 5.1 mt-30 -152.73 161.47 42.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.481 ' HB2' ' CG2' ' A' ' 471' ' ' ILE . 0.2 OUTLIER -137.23 131.65 32.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 1.3 tt0 -101.24 125.4 47.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 440' ' ' HIS . . . -135.08 161.89 34.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -132.84 166.37 22.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 482' ' ' ASN . 5.2 t80 -111.32 141.55 44.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 482' ' ' ASN . 0.4 OUTLIER -160.43 141.95 12.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.559 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 7.2 p-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . . . . . . . . . 3.9 p30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . 0.504 ' CB ' ' CZ ' ' A' ' 498' ' ' PHE . 28.5 m-85 -110.36 153.39 25.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.4 t -122.1 136.11 54.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . 0.504 ' CZ ' ' CB ' ' A' ' 496' ' ' TYR . 3.2 m-85 -138.74 142.28 38.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.508 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -94.0 148.77 21.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.515 HG22 ' CG ' ' A' ' 424' ' ' ASN . 31.7 p -30.2 143.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.15 -144.31 15.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.436 1.085 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 502' ' ' THR . . . . . 0.429 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 3.8 m -130.14 137.91 50.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 110.412 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.69 148.56 52.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 7.5 m -115.12 138.34 51.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.437 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . 0.515 ' CD2' HG12 ' A' ' 516' ' ' ILE . 18.0 t80 -122.63 121.3 36.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 2.9 m -124.28 135.29 26.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.69 138.4 31.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 110.414 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' A' ' 505' ' ' TYR . 4.0 mt -123.78 137.7 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.79 162.44 25.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.43 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 51.1 p -105.17 90.99 3.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 132.98 130.83 3.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.572 ' HB3' ' CE2' ' A' ' 429' ' ' TYR . . . -59.63 156.19 34.71 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.503 ' CG ' HG21 ' A' ' 500' ' ' THR . 3.3 m120 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.71 142.46 50.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 13.0 t -126.55 121.58 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.65 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 92.6 m -111.34 131.73 54.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.76 122.81 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.65 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.5 m-30 -113.88 115.41 27.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.632 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 1.4 t80 -107.51 139.62 41.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.567 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.7 OUTLIER -63.33 140.41 58.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.4 ttmm -77.99 113.2 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.81 11.66 6.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.573 1.17 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.563 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 1.1 m-85 -143.05 -65.81 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 0.771 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.563 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 5.1 p30 151.06 -41.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.47 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 90.4 p -149.13 61.47 5.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.956 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.05 147.51 33.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.445 1.761 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.532 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 38.2 m-85 -98.17 151.92 19.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.52 ' CD1' ' C ' ' A' ' 439' ' ' ILE . 0.0 OUTLIER -131.03 119.24 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.839 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 49.8 t60 -93.48 117.18 29.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.563 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.656 ' CE1' ' CG1' ' A' ' 469' ' ' VAL . 6.3 p90 -131.92 152.46 51.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.596 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.5 ttp180 -150.27 127.07 5.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 132.74 15.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -55.0 98.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 117.62 -3.63 17.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -108.38 -145.78 11.76 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 448' ' ' TRP . 12.4 t -124.28 -179.01 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 110.002 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.839 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 69.4 m95 -91.48 169.99 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' THR . . . . . 0.548 ' CG2' ' CZ ' ' A' ' 441' ' ' TYR . 0.7 OUTLIER -91.11 177.05 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.489 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -73.71 94.2 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.61 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -54.01 132.14 58.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.638 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.03 121.26 7.25 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.004 0.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.638 ' C ' ' O ' ' A' ' 452' ' ' PRO . . . 10.42 -126.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.44 1.088 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 9.8 p -133.97 135.09 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . 0.462 ' HE3' ' CB ' ' A' ' 436' ' ' SER . 13.1 tttt -57.75 105.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.498 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -49.33 129.64 18.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -55.12 174.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.84 135.53 34.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.628 ' HB2' ' CB ' ' A' ' 464' ' ' TYR . . . -111.73 112.36 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.549 ' O ' ' C ' ' A' ' 461' ' ' ILE . 11.6 pt-20 -65.31 -20.38 66.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 462' ' ' SER . 0.9 OUTLIER -28.11 -46.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.0 OUTLIER 154.45 58.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 79.96 52.31 4.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.628 ' CB ' ' HB2' ' A' ' 459' ' ' ALA . 3.1 m-85 -130.05 -174.73 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.498 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -127.12 150.35 49.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.637 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 48.7 mtpt -130.47 147.13 52.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 456' ' ' MET . 3.2 tp -150.98 130.12 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.7 m -126.52 122.5 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.656 ' CG1' ' CE1' ' A' ' 441' ' ' TYR . 3.5 t -132.69 134.65 58.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -84.23 145.21 28.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 473' ' ' SER . 38.6 pt -123.86 -37.62 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.477 ' HA2' ' N ' ' A' ' 424' ' ' ASN . . . 36.17 -93.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -52.32 -14.45 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . 0.484 ' CB ' ' HB ' ' A' ' 471' ' ' ILE . . . -106.3 127.31 53.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.75 -10.47 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . 0.456 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 5.2 mt-30 -154.17 162.56 41.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 471' ' ' ILE . 0.2 OUTLIER -138.85 127.59 23.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 13.7 tt0 -103.65 126.95 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . 0.572 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -147.22 163.18 37.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . 0.498 ' CB ' ' OD1' ' A' ' 495' ' ' ASN . . . -134.77 169.33 17.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.632 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.0 OUTLIER -107.88 143.9 35.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.521 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.7 OUTLIER -160.03 135.93 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.486 ' HB3' ' CE1' ' A' ' 434' ' ' PHE . 11.6 p-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . 0.498 ' OD1' ' CB ' ' A' ' 480' ' ' ALA . 2.5 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . 0.581 ' CD1' HD12 ' A' ' 516' ' ' ILE . 83.3 m-85 -96.1 151.5 19.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 12.0 t -107.75 135.65 48.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -128.08 147.84 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.518 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -108.73 148.76 29.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.518 ' C ' ' O ' ' A' ' 499' ' ' SER . 48.3 p -28.97 142.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 119.74 -146.75 18.07 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 502' ' ' THR . . . . . 0.473 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 4.3 m -128.77 136.24 50.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.786 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.11 148.24 51.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 504' ' ' THR . . . . . 0.408 ' OG1' ' HD3' ' A' ' 521' ' ' PRO . 4.9 m -107.62 138.67 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 481' ' ' PHE . 29.1 t80 -122.5 122.31 38.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.491 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.3 m -128.3 147.25 62.91 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 110.422 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . 0.491 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.89 137.99 31.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 0.735 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . 0.581 HD12 ' CD1' ' A' ' 496' ' ' TYR . 6.1 mt -123.62 138.3 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.0 162.07 29.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.375 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 58.1 m -105.07 92.38 4.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.27 129.28 3.13 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.587 ' HB3' ' CE2' ' A' ' 429' ' ' TYR . . . -59.94 153.37 55.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . 0.408 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.475 ' CG ' HG23 ' A' ' 500' ' ' THR . 12.4 m-80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -129.02 154.29 46.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . 0.424 ' CG2' HD13 ' A' ' 471' ' ' ILE . 4.8 t -130.7 125.55 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.704 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 40.9 m -108.24 136.57 47.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -132.72 122.06 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.704 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.1 m-30 -114.51 110.58 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.619 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 16.4 t80 -106.59 140.24 39.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.568 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 13.0 tmtt? -62.83 141.66 58.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.7 ttmt -74.29 116.39 14.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.59 8.52 6.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.57 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 1.4 m-85 -143.4 -66.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 5.3 p30 150.89 -30.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.488 ' O ' ' CG ' ' A' ' 455' ' ' LYS . 94.1 p -163.99 59.98 0.81 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.485 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -74.97 150.89 38.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.618 ' CD2' ' HB2' ' A' ' 452' ' ' PRO . 49.6 m-85 -94.52 151.66 19.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.471 ' CD1' ' C ' ' A' ' 439' ' ' ILE . 0.0 OUTLIER -133.25 124.72 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.563 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 5.0 t60 -94.92 120.68 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.678 ' CE1' ' CG2' ' A' ' 449' ' ' THR . 5.3 p90 -122.78 152.66 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.536 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.2 ttt180 -155.84 123.71 2.84 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 134.6 18.08 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.33 102.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 109.46 1.73 31.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -106.43 -146.34 13.54 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.78 155.07 49.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 109.99 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.573 ' CH2' ' O ' ' A' ' 478' ' ' GLU . 38.7 m95 -70.24 156.31 39.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 107.994 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' THR . . . . . 0.678 ' CG2' ' CE1' ' A' ' 441' ' ' TYR . 2.5 p -76.58 -173.5 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.544 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -89.33 94.27 9.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.432 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -52.61 126.81 40.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.634 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.2 Cg_endo -75.01 144.06 79.76 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.018 -0.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.634 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -43.76 -113.21 0.0 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 9.7 p -130.57 143.4 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 436' ' ' SER . 0.0 OUTLIER -71.75 110.41 6.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.5 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 22.9 mtm -44.78 118.73 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 466' ' ' LYS . 1.9 mt-30 -49.23 175.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.87 133.99 34.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.598 ' HB1' ' CB ' ' A' ' 464' ' ' TYR . . . -112.7 105.31 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.51 ' O ' ' C ' ' A' ' 461' ' ' ILE . 12.9 pt-20 -59.76 -14.74 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.56 ' O ' ' CB ' ' A' ' 462' ' ' SER . 3.8 mm -30.61 -47.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 154.46 44.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.51 46.48 2.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.598 ' CB ' ' HB1' ' A' ' 459' ' ' ALA . 3.3 m-85 -125.95 -179.75 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.5 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -124.68 144.79 50.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.642 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 50.4 mtpt -124.08 146.31 48.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . 0.454 HG12 ' CG2' ' A' ' 439' ' ' ILE . 2.7 tp -150.88 133.32 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.4 m -125.42 124.62 41.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.605 HG11 ' CE1' ' A' ' 441' ' ' TYR . 4.0 t -131.2 135.64 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -85.03 147.1 26.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.617 ' O ' ' C ' ' A' ' 472' ' ' GLY . 27.8 pt -123.71 -1.16 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.646 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -12.96 111.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.646 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 3.4 t 99.3 -10.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 471' ' ' ILE . . . -119.62 140.06 51.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 475' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 476' ' ' GLN . 0.1 OUTLIER -89.61 -12.5 39.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 475' ' ' SER . 26.2 mt-30 -150.43 161.87 41.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.445 ' CB ' HG21 ' A' ' 471' ' ' ILE . 0.0 OUTLIER -141.31 136.57 31.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.573 ' O ' ' CH2' ' A' ' 448' ' ' TRP . 1.0 OUTLIER -102.17 127.5 49.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . 0.563 ' HA ' ' O ' ' A' ' 440' ' ' HIS . . . -142.16 164.84 29.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . 0.424 ' O ' HG12 ' A' ' 439' ' ' ILE . . . -139.16 165.68 26.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.619 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.6 t80 -109.72 143.7 39.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.501 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 2.8 p30 -162.95 136.46 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 25.5 p-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . 0.555 ' HB3' ' CG ' ' A' ' 478' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . 0.569 ' CE1' HD13 ' A' ' 516' ' ' ILE . 54.7 m-85 -93.21 157.21 16.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 497' ' ' SER . . . . . 0.473 ' CB ' ' OE2' ' A' ' 478' ' ' GLU . 0.0 OUTLIER -130.14 133.94 46.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -132.99 138.24 46.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.527 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -96.24 151.82 19.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.527 ' C ' ' O ' ' A' ' 499' ' ' SER . 32.6 p -27.65 138.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 124.89 -145.63 15.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 7.6 m -129.68 139.43 51.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 110.373 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.77 148.39 50.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 4.2 m -114.72 138.3 50.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 110.357 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -121.38 123.26 41.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.486 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 1.8 m -127.08 147.67 62.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.549 1.815 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.09 137.93 32.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . 0.569 HD13 ' CE1' ' A' ' 496' ' ' TYR . 1.0 OUTLIER -123.37 138.08 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.48 161.95 26.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.414 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 17.6 p -105.74 91.81 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 133.03 132.99 3.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.133 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.484 ' HB1' ' CE2' ' A' ' 429' ' ' TYR . . . -59.18 156.61 27.01 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.773 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.44 ' HB3' HG21 ' A' ' 500' ' ' THR . 3.5 m-80 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -129.97 148.98 51.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . 0.407 ' CG2' HD13 ' A' ' 471' ' ' ILE . 5.8 t -134.43 119.96 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.469 ' HB ' ' CG2' ' A' ' 502' ' ' THR . 0.2 OUTLIER -106.47 137.09 45.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . 0.497 ' HB ' ' CG2' ' A' ' 467' ' ' ILE . 2.8 mt -129.56 125.73 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.628 ' CE2' ' HD2' ' A' ' 466' ' ' LYS . 5.6 m-85 -114.64 109.41 18.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.627 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 10.9 t80 -107.67 138.35 44.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 140.68 58.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.5 ttmm -73.97 110.6 8.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -117.2 -15.12 6.72 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 483' ' ' ASP . 0.2 OUTLIER -120.44 -67.12 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.973 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.8 p30 151.79 -33.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.496 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 60.7 p -157.24 59.93 1.91 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.496 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.01 160.6 39.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.809 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 20.4 m-85 -107.25 146.42 31.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 480' ' ' ALA . 1.5 tp -130.0 119.21 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.491 ' NE2' ' O ' ' A' ' 449' ' ' THR . 1.9 t-160 -92.21 116.83 29.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.553 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.655 ' CD1' ' CG1' ' A' ' 469' ' ' VAL . 11.7 p90 -121.94 139.26 53.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.581 ' O ' ' CD ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -138.16 123.56 12.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 133.27 16.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -55.32 100.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 111.54 2.01 27.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -115.2 -157.76 11.6 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 3.7 m -110.87 168.45 9.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.028 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.562 ' CD2' ' HB2' ' A' ' 442' ' ' ARG . 52.3 m95 -89.91 154.2 20.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 108.031 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' THR . . . . . 0.491 ' O ' ' NE2' ' A' ' 440' ' ' HIS . 0.6 OUTLIER -68.27 -176.96 0.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.32 104.94 16.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.649 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -56.82 139.06 77.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.635 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.2 Cg_endo -74.98 120.74 6.85 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 120.994 -2.502 . . . . 0.0 111.003 -0.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.649 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 13.94 -127.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.42 ' CG1' ' CD1' ' A' ' 467' ' ' ILE . 0.3 OUTLIER -133.62 141.5 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . 0.456 ' O ' ' NE2' ' A' ' 457' ' ' GLN . 15.1 ttmt -60.32 115.41 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.481 ' HG3' ' CG2' ' A' ' 439' ' ' ILE . 5.9 mtt -66.51 121.67 15.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 455' ' ' LYS . 50.1 mm-40 -53.63 175.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.06 132.12 41.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.413 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -105.11 106.82 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 461' ' ' ILE . 15.9 pt-20 -56.08 -16.71 5.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.523 ' O ' ' CB ' ' A' ' 462' ' ' SER . 1.4 mt -32.32 -45.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 157.24 56.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 78.56 52.33 5.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.413 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 1.6 m-85 -122.64 -172.97 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 430' ' ' TYR . . . -128.48 142.75 50.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.628 ' HD2' ' CE2' ' A' ' 429' ' ' TYR . 0.6 OUTLIER -125.01 143.9 50.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.335 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . 0.497 ' CG2' ' HB ' ' A' ' 428' ' ' ILE . 3.4 tp -153.4 128.1 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 2.6 m -119.84 119.12 32.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.439 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.655 ' CG1' ' CD1' ' A' ' 441' ' ' TYR . 71.5 t -124.25 128.68 73.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -85.91 146.49 26.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.595 ' HB ' ' CB ' ' A' ' 474' ' ' ALA . 12.4 pt -118.23 -9.69 11.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 63.32 -89.03 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.56 -19.69 13.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.006 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . 0.595 ' CB ' ' HB ' ' A' ' 471' ' ' ILE . . . -49.1 121.02 4.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.34 -13.51 61.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 2.6 mt-30 -154.92 162.93 40.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.495 ' HB2' ' CG2' ' A' ' 471' ' ' ILE . 0.1 OUTLIER -143.53 144.65 32.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 1.4 mt-10 -96.16 148.42 22.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . 0.599 ' CB ' ' CE1' ' A' ' 498' ' ' PHE . . . -136.43 156.89 47.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . 0.491 ' O ' ' CD1' ' A' ' 439' ' ' ILE . . . -146.78 153.58 40.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.627 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 8.6 t80 -111.97 147.97 34.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.459 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.1 OUTLIER -155.4 153.04 29.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 0.0 109.261 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 434' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . 0.597 ' CD1' HD12 ' A' ' 516' ' ' ILE . 4.7 m-85 -90.7 162.52 14.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 497' ' ' SER . . . . . 0.403 ' C ' ' CD1' ' A' ' 498' ' ' PHE . 10.0 t -126.92 139.51 53.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.978 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . 0.599 ' CE1' ' CB ' ' A' ' 479' ' ' ALA . 5.7 m-85 -137.72 156.74 47.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.505 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -115.92 152.18 33.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.99 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.548 ' CG2' HD11 ' A' ' 471' ' ' ILE . 23.0 p -30.38 143.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 118.4 -148.44 18.48 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 502' ' ' THR . . . . . 0.473 HG21 ' CB ' ' A' ' 520' ' ' ALA . 35.4 m -125.43 139.81 53.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 0.777 . . . . 0.0 110.388 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.6 p -133.53 146.27 50.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 504' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 516' ' ' ILE . 1.4 m -107.8 139.73 41.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.391 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 481' ' ' PHE . 27.6 t80 -123.14 127.88 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.461 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 3.7 m -136.61 145.72 52.49 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.368 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.12 137.86 32.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 110.439 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . 0.597 HD12 ' CD1' ' A' ' 496' ' ' TYR . 5.8 mt -123.97 139.05 51.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 517' ' ' THR . . . . . 0.4 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.6 OUTLIER -127.7 162.61 26.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 3.2 m -105.93 93.16 4.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 138.34 129.89 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.473 ' CB ' HG21 ' A' ' 502' ' ' THR . . . -60.22 156.73 37.66 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . 0.491 ' HD2' ' CD2' ' A' ' 429' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 500' ' ' THR . 25.5 m120 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 426' ' ' VAL . 0.0 OUTLIER -128.75 145.5 51.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . 0.485 HG22 ' CG2' ' A' ' 471' ' ' ILE . 12.9 t -127.77 127.73 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.718 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 38.0 m -114.74 134.42 55.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.415 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -133.0 123.09 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.718 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 18.2 m-30 -115.15 112.38 22.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.581 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 10.9 t80 -106.53 139.67 40.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.578 ' HD2' ' CE1' ' A' ' 464' ' ' TYR . 2.2 tttm -64.08 140.56 58.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 5.3 ttmt -73.84 109.76 7.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -125.63 13.22 7.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.6 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 7.5 m-85 -147.17 -61.57 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 6.3 p30 148.39 -55.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.495 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 5.8 m -138.67 60.21 18.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.02 147.89 34.46 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.451 ' O ' ' ND2' ' A' ' 482' ' ' ASN . 48.8 m-85 -98.79 154.02 18.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.516 ' CD1' ' C ' ' A' ' 439' ' ' ILE . 0.0 OUTLIER -132.02 120.39 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.573 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 1.6 t60 -91.27 117.32 29.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.615 ' CE1' HG11 ' A' ' 469' ' ' VAL . 12.1 p90 -126.17 152.92 45.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.541 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.4 ttt180 -153.82 124.76 3.53 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 134.09 17.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.802 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.33 102.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 105.92 5.42 38.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -109.2 -149.22 13.12 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.81 160.43 29.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.57 ' HB3' ' CE1' ' A' ' 440' ' ' HIS . 55.6 m95 -74.55 157.49 35.39 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' THR . . . . . 0.587 ' CG2' ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -79.17 -172.9 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.418 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -83.81 95.29 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.668 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -56.09 138.25 73.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.609 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.99 119.04 5.69 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.025 0.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.668 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.62 -131.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 5.3 p -131.35 134.35 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -58.1 106.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.472 ' CE ' ' HB ' ' A' ' 439' ' ' ILE . 17.4 mtt -49.77 126.28 13.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -54.82 173.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.57 131.75 34.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.59 ' HB2' ' CB ' ' A' ' 464' ' ' TYR . . . -109.36 103.41 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 461' ' ' ILE . 14.9 pt-20 -58.41 -15.54 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.568 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -29.33 -47.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.9 OUTLIER 153.95 44.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.96 48.07 2.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.59 ' CB ' ' HB2' ' A' ' 459' ' ' ALA . 3.7 m-85 -128.64 179.27 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -124.17 145.78 49.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.631 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 50.9 mtpt -126.15 145.88 50.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . 0.468 HG12 ' CG2' ' A' ' 439' ' ' ILE . 2.4 tp -151.46 129.48 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 2.4 m -122.4 124.17 43.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.615 HG11 ' CE1' ' A' ' 441' ' ' TYR . 27.0 t -128.3 132.98 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . 0.406 ' CA ' ' HE3' ' A' ' 425' ' ' LYS . 8.2 t70 -84.23 145.51 28.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.618 ' O ' ' N ' ' A' ' 473' ' ' SER . 13.7 pt -131.15 28.13 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.644 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -52.0 78.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.5 m 147.38 -12.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . . . . . . . . . . . -123.04 138.29 54.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.82 -6.81 59.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . 0.409 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 2.9 mt-30 -153.54 162.23 41.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.482 ' HB2' ' CG2' ' A' ' 471' ' ' ILE . 0.8 OUTLIER -137.75 128.4 26.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.567 ' OE2' ' N ' ' A' ' 479' ' ' ALA . 4.5 tp10 -102.32 129.3 48.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' A' ' 440' ' ' HIS . . . -147.65 164.18 34.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -137.43 169.65 17.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.581 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.5 t80 -109.0 143.25 38.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.471 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 2.7 p30 -162.04 136.28 6.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 434' ' ' PHE . 28.8 p-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . 0.512 ' HB2' ' CD ' ' A' ' 478' ' ' GLU . 47.3 p-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . 0.585 ' CD1' HD11 ' A' ' 516' ' ' ILE . 33.0 m-85 -107.66 145.39 33.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 3.9 t -118.72 145.39 45.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -142.48 139.22 31.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -96.42 151.34 19.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.992 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.538 ' C ' ' O ' ' A' ' 499' ' ' SER . 34.5 p -26.83 138.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.25 -147.74 16.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 502' ' ' THR . . . . . 0.469 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 6.7 m -130.43 137.94 50.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.386 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.8 p -134.15 148.03 50.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 3.3 m -110.09 139.12 45.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -122.1 127.08 49.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.489 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.4 m -133.11 147.34 64.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.415 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . 0.489 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.79 139.21 31.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 110.415 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . 0.585 HD11 ' CD1' ' A' ' 496' ' ' TYR . 2.3 mt -123.67 138.87 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.39 162.29 27.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 2.7 m -106.28 92.81 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 127.75 133.35 3.73 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.467 ' HB3' ' CE2' ' A' ' 429' ' ' TYR . . . -59.06 156.35 27.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.432 1.754 . . . . 0.0 110.965 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' ASN . . . . . 0.539 ' HB3' ' CG2' ' A' ' 500' ' ' THR . 35.4 m120 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.412 ' CD ' HG21 ' A' ' 468' ' ' THR . 2.4 tppt? -129.22 144.31 51.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . 0.442 ' CG2' HD12 ' A' ' 471' ' ' ILE . 9.2 t -126.18 125.67 68.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' THR . . . . . 0.665 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 60.3 m -113.76 136.76 52.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.2 mp -132.77 122.78 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 429' ' ' TYR . . . . . 0.665 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.4 m-30 -114.1 110.82 20.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 430' ' ' TYR . . . . . 0.537 ' CD2' ' HE3' ' A' ' 456' ' ' MET . 6.0 t80 -106.65 139.76 40.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.534 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.3 OUTLIER -64.47 142.05 58.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 432' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 4.2 ttmt -77.79 108.09 10.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -122.47 8.17 9.58 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' PHE . . . . . 0.596 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 13.9 m-85 -140.13 -61.92 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.783 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' ASN . . . . . 0.596 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 10.5 m-20 148.39 -60.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.358 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' SER . . . . . 0.458 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 86.0 p -132.82 61.85 58.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.97 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.05 156.78 42.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.549 1.815 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.446 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 19.9 m-85 -105.42 150.6 25.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.993 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 480' ' ' ALA . 2.2 tt -133.27 123.09 46.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' HIS . . . . . 0.615 ' CD2' ' OG1' ' A' ' 449' ' ' THR . 0.7 OUTLIER -95.39 126.68 40.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.602 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' TYR . . . . . 0.573 ' CE1' HG13 ' A' ' 469' ' ' VAL . 9.5 p90 -127.22 152.06 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.505 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 0.3 OUTLIER -156.37 125.11 2.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.4 Cg_endo -74.99 133.81 17.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.561 1.822 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -50.54 108.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 105.62 0.44 39.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.098 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -105.89 -137.83 8.98 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.3 154.8 40.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 109.984 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' TRP . . . . . 0.505 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 98.4 m95 -67.77 157.86 33.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 107.984 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' THR . . . . . 0.615 ' OG1' ' CD2' ' A' ' 440' ' ' HIS . 2.1 p -81.84 -177.21 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -74.1 96.27 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 452' ' ' PRO . . . -54.1 126.03 51.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.607 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.02 135.71 41.8 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.982 -2.508 . . . . 0.0 110.994 0.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -34.93 -103.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.493 ' CG1' ' CD1' ' A' ' 467' ' ' ILE . 2.6 p -131.56 147.7 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.787 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -75.26 120.21 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' MET . . . . . 0.537 ' HE3' ' CD2' ' A' ' 430' ' ' TYR . 0.2 OUTLIER -51.5 121.28 6.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 466' ' ' LYS . 1.0 OUTLIER -55.2 174.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.74 135.65 33.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' ALA . . . . . 0.554 ' HB1' ' CB ' ' A' ' 464' ' ' TYR . . . -115.54 102.37 9.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.55 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.0 pt-20 -58.19 -15.39 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' ILE . . . . . 0.562 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.5 mm -28.77 -47.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.5 m 154.92 44.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.54 47.39 2.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.554 ' CB ' ' HB1' ' A' ' 459' ' ' ALA . 4.2 m-85 -128.19 178.88 5.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -123.11 147.15 47.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.645 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 51.4 mtpt -128.79 144.34 51.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 467' ' ' ILE . . . . . 0.493 ' CD1' ' CG1' ' A' ' 454' ' ' VAL . 0.1 OUTLIER -151.76 128.99 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 468' ' ' THR . . . . . 0.412 HG21 ' CD ' ' A' ' 425' ' ' LYS . 2.5 m -125.03 128.19 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.573 HG13 ' CE1' ' A' ' 441' ' ' TYR . 2.2 t -133.33 135.59 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -84.57 146.12 27.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.667 ' O ' ' C ' ' A' ' 472' ' ' GLY . 14.8 pt -119.31 -9.3 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.667 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . -3.03 108.18 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 473' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 4.7 t 100.8 -11.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 474' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 471' ' ' ILE . . . -113.87 136.16 53.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.74 -10.54 53.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -154.7 161.24 41.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.554 ' CD2' ' C ' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -142.62 142.68 32.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 478' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 0.1 OUTLIER -99.04 132.63 44.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 479' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 440' ' ' HIS . . . -123.65 161.21 25.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -147.31 156.73 43.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 481' ' ' PHE . . . . . 0.5 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 9.3 t80 -110.34 149.08 30.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 482' ' ' ASN . . . . . 0.453 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.0 OUTLIER -157.63 157.84 34.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.5 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 495' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 496' ' ' TYR . . . . . 0.575 ' CD1' HD12 ' A' ' 516' ' ' ILE . 23.6 m-85 -95.33 155.6 16.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 497' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 0.0 OUTLIER -129.07 133.23 47.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.031 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 498' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 496' ' ' TYR . 10.5 m-85 -135.89 151.86 50.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 499' ' ' SER . . . . . 0.542 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.1 OUTLIER -104.92 150.91 24.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 500' ' ' THR . . . . . 0.542 ' C ' ' O ' ' A' ' 499' ' ' SER . 39.8 p -26.87 138.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.6 -147.62 16.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 502' ' ' THR . . . . . 0.467 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 5.3 m -127.9 138.78 52.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 110.429 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.32 148.38 52.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.99 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 2.8 m -110.92 138.43 47.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.386 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 505' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 481' ' ' PHE . 28.8 t80 -120.75 126.96 51.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.488 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 3.7 m -133.47 146.41 60.51 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.418 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 507' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.543 1.812 . . . . 0.0 111.051 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.02 138.29 31.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 516' ' ' ILE . . . . . 0.575 HD12 ' CD1' ' A' ' 496' ' ' TYR . 2.9 mt -124.06 138.8 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.72 162.3 27.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 56.8 p -105.98 93.0 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.49 131.11 3.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 520' ' ' ALA . . . . . 0.578 ' HB3' ' CE2' ' A' ' 429' ' ' TYR . . . -58.89 155.99 28.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.938 -179.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -175.27 -179.83 46.06 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 8.1 m -60.83 -36.35 78.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 110.454 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 72.34 81.65 0.33 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.538 ' CG ' HG22 ' A' ' 500' ' ' THR . 5.4 m-80 -110.35 162.27 14.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 0.735 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.42 147.38 51.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . 0.478 HG21 ' CG2' ' A' ' 471' ' ' ILE . 27.8 t -131.47 122.57 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.708 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 32.2 m -108.86 135.42 50.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.372 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . 0.475 HG22 ' CE ' ' A' ' 456' ' ' MET . 1.5 mt -131.93 123.46 51.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.708 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.3 m-30 -113.58 111.75 22.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.612 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 3.2 t80 -106.21 138.98 41.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -64.74 140.26 58.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 1.6 ttmm -77.83 104.22 8.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -114.96 -3.96 21.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.571 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 0.8 OUTLIER -128.95 -63.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 111.015 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.8 p30 150.57 -48.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.465 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 11.1 p -140.47 61.39 16.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.465 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.2 Cg_endo -74.98 148.3 35.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.58 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 11.7 m-30 -100.55 151.01 22.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 480' ' ' ALA . 0.0 OUTLIER -131.49 119.28 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.504 ' CD2' ' HA2' ' A' ' 453' ' ' GLY . 1.6 t-160 -96.42 119.69 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.583 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.611 ' CD1' HG13 ' A' ' 469' ' ' VAL . 7.6 p90 -123.78 150.99 43.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.524 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.7 ttt180 -147.1 122.9 5.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.1 Cg_endo -75.0 132.81 15.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -51.76 105.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 102.52 7.77 44.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -114.07 -154.88 11.24 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.06 157.21 30.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.524 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 43.5 m95 -70.04 160.5 31.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.035 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' THR . . . . . 0.512 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -78.05 -179.92 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.373 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -74.04 94.16 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.66 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.46 139.5 67.0 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.0 119.98 6.34 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.018 0.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.66 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 18.33 -135.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 9.9 p -133.62 141.56 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.343 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.48 121.2 12.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.483 ' HG2' ' CG2' ' A' ' 439' ' ' ILE . 0.0 OUTLIER -67.91 128.64 37.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.3 174.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.25 135.8 33.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.579 ' HB1' ' CB ' ' A' ' 464' ' ' TYR . . . -112.81 103.48 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.541 ' O ' ' C ' ' A' ' 461' ' ' ILE . 26.3 pt-20 -58.66 -15.51 12.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.549 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -29.12 -48.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.2 m 155.65 45.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.74 46.27 2.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.138 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.579 ' CB ' ' HB1' ' A' ' 459' ' ' ALA . 3.8 m-85 -127.42 -178.36 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -125.43 150.61 47.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.619 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 48.7 mtpt -128.98 148.3 50.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 456' ' ' MET . 5.0 tp -150.27 132.15 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.4 m -124.5 120.94 33.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.611 HG13 ' CD1' ' A' ' 441' ' ' TYR . 15.8 t -129.53 134.55 63.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -89.15 144.74 25.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.617 ' O ' ' N ' ' A' ' 473' ' ' SER . 10.4 pt -129.38 25.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.646 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -49.5 80.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.646 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.2 m 147.3 -14.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . . . . . . . . . . . -122.17 136.82 54.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -8.33 58.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . 0.417 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 0.7 OUTLIER -154.6 161.95 41.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.458 ' CB ' HG21 ' A' ' 471' ' ' ILE . 0.2 OUTLIER -141.95 142.65 33.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 20.6 mt-10 -97.69 148.87 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . 0.416 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -134.67 158.58 43.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . 0.505 ' O ' HG12 ' A' ' 439' ' ' ILE . . . -146.36 146.74 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.612 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 4.1 t80 -108.38 142.09 39.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.442 ' OD1' ' CE3' ' A' ' 488' ' ' TRP . 0.5 OUTLIER -161.15 135.3 6.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.521 ' HB3' ' CE1' ' A' ' 434' ' ' PHE . 9.6 p-10 -71.31 -10.23 59.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.49 ' HA3' ' CE2' ' A' ' 438' ' ' TYR . . . 86.7 -16.23 47.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.71 -81.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -159.51 19.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . 0.427 ' O ' ' OD1' ' A' ' 483' ' ' ASP . 42.3 m-80 -123.13 119.8 31.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . 0.442 ' CE3' ' OD1' ' A' ' 482' ' ' ASN . 7.4 m0 -114.13 175.68 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 108.004 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.62 99.38 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.667 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.5 OUTLIER -133.37 119.1 19.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.557 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 0.2 OUTLIER 28.75 42.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.557 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 4.4 t-20 85.96 -45.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.667 ' N ' ' O ' ' A' ' 490' ' ' SER . 5.4 t -179.12 45.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.378 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.454 ' O ' ' HB3' ' A' ' 495' ' ' ASN . 8.6 mttt -148.18 -75.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.475 ' HA ' ' CB ' ' A' ' 490' ' ' SER . 8.1 p-10 160.75 140.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 498' ' ' PHE . 48.5 m-85 -82.42 158.74 23.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' SER . . . . . 0.537 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 12.0 t -130.67 134.99 47.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 497' ' ' SER . 13.9 m-85 -141.51 152.84 44.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.502 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -102.54 149.17 24.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.979 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.538 HG22 ' CG ' ' A' ' 424' ' ' ASN . 35.1 p -30.57 145.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.404 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 127.51 -144.05 14.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' THR . . . . . 0.435 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 1.3 m -129.39 134.21 47.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 110.411 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 428' ' ' ILE . 0.1 OUTLIER -133.96 149.28 51.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' THR . . . . . 0.402 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 3.2 m -113.23 138.79 49.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 481' ' ' PHE . 34.3 t80 -118.57 123.06 44.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.2 m -127.82 146.82 60.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.3 Cg_endo -74.95 146.24 32.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.545 1.813 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 510' ' ' SER . . . -65.56 79.27 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . 0.576 ' O ' ' CB ' ' A' ' 510' ' ' SER . 3.0 m120 -66.92 69.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 0.744 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 509' ' ' ASN . 1.7 m 153.63 -96.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -133.62 26.83 3.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.12 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . 0.434 ' HB2' ' HA2' ' A' ' 508' ' ' GLY . 5.1 m-20 -93.58 161.08 14.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.769 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -121.69 76.17 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 63.64 103.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.66 139.23 31.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 110.399 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . 0.522 HG23 ' CE1' ' A' ' 498' ' ' PHE . 3.9 mt -122.71 138.04 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' THR . . . . . 0.402 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.2 OUTLIER -127.14 161.71 27.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 12.5 m -106.53 91.56 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 126.85 134.02 3.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.487 ' HB1' ' CE2' ' A' ' 429' ' ' TYR . . . -58.53 156.0 25.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . 0.4 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.4 Cg_endo -75.0 149.63 36.99 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -108.67 53.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.941 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 121.64 -74.14 0.35 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 3.1 m -69.86 115.93 9.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.389 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -159.37 -129.02 1.02 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.102 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.453 ' CG ' HG22 ' A' ' 500' ' ' THR . 8.1 m-80 -87.63 161.1 17.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -129.03 154.06 47.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.256 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . 0.491 HG23 ' CG2' ' A' ' 471' ' ' ILE . 13.4 t -132.87 124.14 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.719 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 41.0 m -107.77 136.2 47.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.4 mt -132.69 121.79 45.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.719 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 17.2 m-30 -115.25 110.44 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 111.057 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.608 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 19.2 t80 -105.81 138.77 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.598 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.4 OUTLIER -64.53 140.73 58.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.8 ttmm -74.6 110.11 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -126.4 12.56 7.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.644 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 10.6 m-85 -147.18 -57.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 111.047 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.644 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.3 t-20 143.81 -58.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.496 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -133.77 60.09 43.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.496 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.2 Cg_endo -74.99 151.23 39.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.577 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 21.7 m-85 -102.29 152.81 20.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.414 ' C ' ' HA3' ' A' ' 453' ' ' GLY . 4.7 tt -132.09 120.21 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.506 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 1.5 t60 -92.44 118.48 31.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.591 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.599 ' CD1' HG11 ' A' ' 469' ' ' VAL . 6.0 p90 -128.22 152.67 47.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.522 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.9 ttt180 -151.77 124.04 3.97 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.4 Cg_endo -75.04 134.84 18.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.29 104.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 101.07 9.68 44.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -111.95 -152.39 11.92 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.58 153.75 40.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.522 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 39.1 m95 -68.72 158.73 33.62 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' THR . . . . . 0.561 ' CG2' ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -80.05 -174.99 4.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -82.46 95.21 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.659 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.77 138.45 70.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.617 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.2 Cg_endo -75.03 119.66 6.12 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.011 -2.496 . . . . 0.0 110.964 0.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.659 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.94 -131.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 3.2 p -132.62 141.25 45.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.08 113.83 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.477 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -56.15 120.8 8.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 466' ' ' LYS . 1.2 mt-30 -50.8 175.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.37 133.47 34.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.558 ' HB2' ' CB ' ' A' ' 464' ' ' TYR . . . -114.35 103.08 10.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 461' ' ' ILE . 26.3 pt-20 -59.33 -14.91 13.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.553 ' O ' ' CB ' ' A' ' 462' ' ' SER . 3.7 mm -29.46 -47.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.3 m 154.79 43.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.14 47.99 2.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.558 ' CB ' ' HB2' ' A' ' 459' ' ' ALA . 4.3 m-85 -129.27 178.39 6.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -123.18 145.02 48.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.625 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 48.8 mtpt -124.54 146.37 49.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . . . . . . . . . 3.8 tp -151.2 129.68 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.3 m -118.42 121.51 40.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.599 HG11 ' CD1' ' A' ' 441' ' ' TYR . 82.7 t -124.65 130.34 73.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.02 144.9 28.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.622 ' O ' ' N ' ' A' ' 473' ' ' SER . 17.3 pt -129.59 26.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.63 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -49.64 80.84 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.63 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.3 m 148.31 -17.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . . . . . . . . . . . -127.86 141.57 51.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 4.8 m -90.16 3.82 52.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -155.81 149.44 25.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.27 135.32 40.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 1.9 tt0 -106.29 128.68 54.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -147.25 162.99 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -136.52 168.71 18.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.608 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.4 t80 -108.98 144.53 36.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.509 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 1.8 p30 -161.72 136.58 7.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 434' ' ' PHE . 27.1 p-10 -66.07 -11.75 50.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.577 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 89.19 -14.34 61.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.7 -83.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -153.94 16.45 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -118.71 117.73 29.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -115.93 175.15 5.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 108.045 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 481' ' ' PHE . 1.4 t0 -156.23 111.22 2.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 492' ' ' ASN . 1.5 p -132.2 175.59 9.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.97 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 54.2 t30 -38.13 -28.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.6 m-20 160.05 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 1.9 t 178.05 28.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 2.6 mttm -145.86 -70.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 494' ' ' LYS . 3.7 p30 153.37 172.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . 0.589 ' CE1' HD12 ' A' ' 516' ' ' ILE . 63.6 m-85 -97.78 158.3 15.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.2 t -125.81 139.15 53.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.985 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.28 136.29 36.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.547 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -92.57 148.95 21.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.547 ' C ' ' O ' ' A' ' 499' ' ' SER . 22.6 p -26.35 137.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 128.34 -145.69 16.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' THR . . . . . 0.49 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 7.4 m -129.09 137.9 51.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.426 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 3.6 p -133.26 148.91 51.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' THR . . . . . 0.406 ' OG1' ' HD3' ' A' ' 521' ' ' PRO . 14.0 m -112.4 138.06 49.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.382 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . 0.403 ' CD1' ' HD1' ' A' ' 430' ' ' TYR . 2.8 t80 -119.46 122.95 42.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.501 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.0 m -130.12 147.71 66.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . 0.501 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.2 Cg_endo -75.03 144.26 29.92 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -99.52 -139.73 11.01 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 1.5 m120 152.17 154.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.1 -86.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -112.56 -13.65 11.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -94.21 161.52 14.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -165.97 100.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.244 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 63.86 96.59 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.73 139.55 37.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . 0.589 HD12 ' CE1' ' A' ' 496' ' ' TYR . 1.0 OUTLIER -122.77 138.43 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' THR . . . . . 0.4 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.5 OUTLIER -128.14 161.99 27.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 23.7 m -104.67 93.08 4.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 127.66 131.14 3.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.487 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.68 156.09 35.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . 0.406 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.2 Cg_endo -74.99 149.91 37.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -112.01 56.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -120.78 179.88 16.3 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 9.7 t -109.9 -28.16 8.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 110.399 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 115.15 107.86 2.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.485 ' HB3' ' CG1' ' A' ' 471' ' ' ILE . 3.5 m-80 -114.66 159.18 20.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.13 138.57 49.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . 0.473 HG22 ' CG2' ' A' ' 471' ' ' ILE . 6.3 t -127.89 117.98 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.694 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 45.4 m -105.96 136.6 45.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.2 mp -133.72 121.79 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.694 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.3 m-30 -113.55 110.03 19.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.628 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.1 t80 -107.89 140.13 41.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.587 ' CG ' ' CZ ' ' A' ' 464' ' ' TYR . 3.0 mttp -63.38 139.63 58.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 1.9 ttmt -76.5 107.67 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -117.34 4.2 18.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.537 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 3.5 m-85 -138.72 -66.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.6 p-10 153.2 -48.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.522 ' N ' ' ND2' ' A' ' 435' ' ' ASN . 37.5 p -142.14 60.0 10.0 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.498 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.98 148.59 35.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.56 ' CD2' ' HB2' ' A' ' 452' ' ' PRO . 88.6 m-85 -94.63 156.36 16.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . . . . . . . . . 1.9 tt -135.03 121.79 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.586 ' CD2' ' OG1' ' A' ' 449' ' ' THR . 2.3 t-160 -99.77 119.35 38.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.56 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.657 ' CE1' ' CG1' ' A' ' 469' ' ' VAL . 15.9 p90 -130.78 153.96 48.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.583 ' HB3' ' CZ3' ' A' ' 448' ' ' TRP . 1.3 ttt180 -146.58 125.33 6.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.96 14.87 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -52.76 103.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.29 -0.51 29.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -108.81 -148.63 13.16 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.66 161.42 30.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.583 ' CZ3' ' HB3' ' A' ' 442' ' ' ARG . 57.2 m95 -71.68 157.22 38.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 107.981 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' THR . . . . . 0.586 ' OG1' ' CD2' ' A' ' 440' ' ' HIS . 1.6 p -84.12 157.32 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -59.11 95.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.462 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -56.34 128.08 72.6 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.645 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -75.01 138.89 58.69 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.992 -2.504 . . . . 0.0 110.952 0.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.645 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -37.25 -107.51 0.0 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.479 ' CG1' ' CD1' ' A' ' 467' ' ' ILE . 2.1 p -131.79 151.77 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -78.74 121.03 24.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.557 ' HE2' ' CD2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -54.48 119.41 5.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 466' ' ' LYS . 44.7 mm-40 -50.18 173.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.34 131.89 34.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.564 ' HB3' ' CB ' ' A' ' 464' ' ' TYR . . . -111.91 102.49 10.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 461' ' ' ILE . 12.4 pt-20 -57.07 -16.59 7.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.557 ' C ' ' O ' ' A' ' 460' ' ' GLU . 5.9 mm -28.08 -48.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.9 m 156.57 47.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 93.12 39.87 5.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.587 ' CZ ' ' CG ' ' A' ' 431' ' ' LYS . 2.7 m-30 -117.8 174.0 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.419 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -120.63 144.5 48.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.627 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 54.3 mtpt -129.03 141.3 51.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . 0.479 ' CD1' ' CG1' ' A' ' 454' ' ' VAL . 0.2 OUTLIER -151.2 130.1 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 4.4 m -122.65 128.64 50.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.657 ' CG1' ' CE1' ' A' ' 441' ' ' TYR . 10.7 t -131.8 134.91 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.8 145.52 29.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 473' ' ' SER . 37.8 pt -130.38 21.88 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.656 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -48.53 84.36 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.9 m 146.25 -13.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . . . . . . . . . . . -127.56 136.68 52.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -7.2 56.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.965 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . 0.463 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 1.0 OUTLIER -153.27 161.9 41.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.443 ' HB2' ' CG2' ' A' ' 471' ' ' ILE . 0.2 OUTLIER -145.32 142.98 29.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.491 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 2.8 mt-10 -98.18 148.32 23.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . 0.421 ' HB1' ' CE2' ' A' ' 498' ' ' PHE . . . -139.36 156.32 47.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -145.93 152.61 39.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.628 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.6 t80 -110.42 140.1 44.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.467 ' HB3' ' CG ' ' A' ' 488' ' ' TRP . 0.7 OUTLIER -162.55 135.87 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.488 ' OD2' ' CZ ' ' A' ' 434' ' ' PHE . 31.4 p-10 -77.69 -9.41 58.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 81.85 -10.48 51.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.445 1.091 . . . . 0.0 110.988 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' A' ' 486' ' ' ASN . 0.6 OUTLIER -82.38 -30.12 30.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . 0.561 ' CB ' ' O ' ' A' ' 485' ' ' ASN . 0.9 OUTLIER 151.76 -20.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . 0.45 ' ND2' ' OD2' ' A' ' 483' ' ' ASP . 19.4 m-80 -81.56 110.48 16.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . 0.467 ' CG ' ' HB3' ' A' ' 482' ' ' ASN . 11.0 m0 -114.29 169.11 9.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 108.001 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 481' ' ' PHE . 0.1 OUTLIER -161.9 91.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.661 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -135.37 119.91 18.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.6 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 10.4 t-20 34.57 35.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 6.0 t-20 89.85 -40.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.661 ' N ' ' O ' ' A' ' 490' ' ' SER . 2.2 t 178.74 44.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.462 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.591 ' O ' ' HB3' ' A' ' 495' ' ' ASN . 38.5 mttt -149.55 -79.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.591 ' HB3' ' O ' ' A' ' 494' ' ' LYS . 0.0 OUTLIER 167.58 136.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . 0.582 ' CD1' HD12 ' A' ' 516' ' ' ILE . 34.0 m-85 -80.13 162.0 24.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 12.4 t -125.18 136.28 53.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.001 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . 0.62 ' CE1' ' CG2' ' A' ' 516' ' ' ILE . 15.8 m-85 -139.38 153.95 47.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -105.04 152.78 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.476 ' CG2' ' OD1' ' A' ' 424' ' ' ASN . 23.9 p -32.58 147.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 120.53 -144.87 17.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' THR . . . . . 0.44 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 2.7 m -127.96 136.32 51.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.459 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.82 149.02 52.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 3.3 m -110.33 139.0 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -116.18 120.71 39.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.512 ' OG1' ' CD ' ' A' ' 431' ' ' LYS . 2.1 m -120.92 146.54 44.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . 0.5 ' O ' ' N ' ' A' ' 509' ' ' ASN . 18.3 Cg_endo -74.96 146.03 32.32 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.466 1.772 . . . . 0.0 111.053 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.508 ' HA2' ' CB ' ' A' ' 512' ' ' ASN . . . -59.61 77.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 507' ' ' PRO . 6.3 m-80 -63.89 81.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' SER . . . . . 0.498 ' C ' ' H ' ' A' ' 512' ' ' ASN . 3.5 m 60.62 126.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 70.03 -42.54 0.49 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . 0.508 ' CB ' ' HA2' ' A' ' 508' ' ' GLY . 20.5 m120 -72.19 161.89 30.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -149.18 92.97 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 53.21 86.15 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.23 142.41 27.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 110.421 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . 0.62 ' CG2' ' CE1' ' A' ' 498' ' ' PHE . 1.1 mt -123.55 137.78 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.26 162.25 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 60.6 p -106.29 93.02 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 128.55 132.8 3.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.557 ' HB3' ' CE2' ' A' ' 429' ' ' TYR . . . -59.14 153.71 44.64 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 151.45 39.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -105.03 52.12 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.035 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -127.59 62.58 0.62 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 12.5 t -90.75 175.87 6.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 110.454 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -149.75 107.16 0.34 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.492 ' CG ' HG22 ' A' ' 500' ' ' THR . 7.7 m-80 -105.16 161.52 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.22 148.64 51.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . 0.471 HG23 ' CG2' ' A' ' 471' ' ' ILE . 6.1 t -130.0 120.35 49.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.72 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 34.2 m -107.64 135.23 49.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -132.72 121.14 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.72 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.4 m-30 -114.56 114.46 25.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.598 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 12.4 t80 -106.82 139.88 40.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 3.9 tttt -64.97 140.49 58.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 5.6 ttmt -74.94 103.02 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -120.09 9.68 11.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.6 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 12.2 m-85 -142.23 -61.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.728 . . . . 0.0 110.995 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 11.1 m-20 147.7 -60.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.444 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 68.8 m -132.43 62.13 61.25 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -74.99 151.84 40.05 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.793 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -105.56 144.38 32.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 480' ' ' ALA . 0.3 OUTLIER -127.52 119.2 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 480' ' ' ALA . 0.7 OUTLIER -91.92 119.55 31.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.615 ' CD1' HG11 ' A' ' 469' ' ' VAL . 5.2 p90 -122.19 151.08 41.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.536 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.8 ttt180 -154.81 123.97 3.11 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.3 Cg_endo -75.0 134.56 17.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -52.16 99.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 107.9 7.86 30.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.571 1.17 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -110.29 -152.03 13.29 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.07 157.8 30.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.536 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 42.3 m95 -74.56 156.68 36.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 108.017 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' THR . . . . . 0.456 HG23 ' CE2' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -77.52 -179.51 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -78.77 97.43 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.651 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.74 139.79 68.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.599 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.5 Cg_endo -74.96 120.15 6.44 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.984 -0.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.651 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.8 -132.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 1.4 p -133.38 131.04 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -54.56 110.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.475 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 7.2 mtt -54.68 127.65 29.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.58 173.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.44 134.29 34.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.596 ' HB2' ' CB ' ' A' ' 464' ' ' TYR . . . -112.33 109.49 19.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 461' ' ' ILE . 10.7 pt-20 -64.83 -18.69 65.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.569 ' O ' ' CB ' ' A' ' 462' ' ' SER . 1.0 OUTLIER -29.3 -45.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.8 OUTLIER 154.04 59.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 79.19 52.64 4.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.596 ' CB ' ' HB2' ' A' ' 459' ' ' ALA . 5.2 m-85 -131.69 -179.31 5.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 0.791 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -124.28 148.62 47.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.638 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 53.7 mtpt -129.1 145.79 51.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -151.62 130.26 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 2.3 m -121.11 127.85 52.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.615 HG11 ' CD1' ' A' ' 441' ' ' TYR . 9.7 t -132.42 131.64 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -84.64 145.14 28.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.606 ' O ' ' N ' ' A' ' 473' ' ' SER . 11.3 pt -131.83 26.66 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.653 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -51.6 80.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.653 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.7 m 146.72 -12.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . . . . . . . . . . . -124.05 139.69 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -6.98 59.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -153.77 162.13 41.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.405 HD23 ' CG1' ' A' ' 426' ' ' VAL . 0.0 OUTLIER -140.84 142.74 34.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.496 ' CG ' ' HB3' ' A' ' 495' ' ' ASN . 11.8 tp10 -98.1 139.49 33.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . 0.471 ' HB1' ' CE2' ' A' ' 498' ' ' PHE . . . -130.09 157.14 43.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . 0.513 ' O ' ' CD1' ' A' ' 439' ' ' ILE . . . -144.53 153.41 41.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.598 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 9.1 t80 -110.41 145.94 36.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.515 ' OD1' ' CE3' ' A' ' 488' ' ' TRP . 0.7 OUTLIER -154.25 152.03 29.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.471 ' O ' ' ND2' ' A' ' 487' ' ' ASN . 0.4 OUTLIER -134.02 58.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 137.22 -71.57 0.47 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . 0.505 ' O ' ' NE1' ' A' ' 488' ' ' TRP . 4.3 t-20 178.81 -67.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.801 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -66.26 -20.09 66.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 483' ' ' ASP . 0.2 OUTLIER -89.35 97.98 11.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . 0.515 ' CE3' ' OD1' ' A' ' 482' ' ' ASN . 88.4 m95 -106.31 164.71 11.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.009 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . 0.46 ' CB ' ' HB3' ' A' ' 481' ' ' PHE . 0.8 OUTLIER -161.63 80.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.686 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.6 OUTLIER -121.49 120.86 36.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.991 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.585 ' HA ' ' CE1' ' A' ' 496' ' ' TYR . 0.2 OUTLIER 29.15 45.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 48.9 t30 85.2 -45.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.686 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.8 t 178.2 42.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 9.5 mtpt -143.47 -74.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.506 ' HA ' ' CB ' ' A' ' 490' ' ' SER . 2.0 m-20 157.81 143.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 498' ' ' PHE . 61.3 m-85 -91.05 147.85 22.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.8 t -122.6 129.89 52.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 496' ' ' TYR . 10.1 m-85 -132.9 143.67 49.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.549 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -99.22 148.25 24.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.549 ' C ' ' O ' ' A' ' 499' ' ' SER . 31.4 p -26.46 138.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 129.94 -146.93 17.8 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' THR . . . . . 0.494 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 2.0 m -129.83 132.98 46.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.41 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.64 149.48 52.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' THR . . . . . 0.405 ' OG1' ' HD3' ' A' ' 521' ' ' PRO . 15.4 m -113.27 138.49 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . 0.421 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 12.1 t80 -118.32 126.24 51.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.505 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.0 m -133.75 147.7 65.45 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.451 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . 0.505 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.3 Cg_endo -75.04 146.07 32.06 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.553 1.818 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -93.96 -141.18 10.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 1.6 p-10 157.02 104.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' SER . . . . . 0.442 ' C ' ' H ' ' A' ' 512' ' ' ASN . 3.2 m 64.26 112.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 77.31 -37.63 1.58 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . 0.442 ' H ' ' C ' ' A' ' 510' ' ' SER . 4.1 m-80 -92.03 161.27 14.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -164.43 101.21 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 53.61 97.61 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.36 138.85 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . 0.589 ' CD1' ' CD1' ' A' ' 496' ' ' TYR . 5.8 mt -122.54 138.67 51.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.48 162.71 28.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 28.3 p -105.42 91.89 3.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 131.56 131.77 3.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.576 ' HB3' ' CD2' ' A' ' 429' ' ' TYR . . . -63.96 152.09 88.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.763 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . 0.405 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.4 Cg_endo -74.92 149.91 37.78 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -106.38 53.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 116.64 172.93 16.63 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 72.3 p -44.9 105.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 110.375 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . 0.419 ' HA3' ' HA3' ' A' ' 472' ' ' GLY . . . -127.5 -136.41 4.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.572 ' H ' ' CA ' ' A' ' 472' ' ' GLY . 9.9 m-80 -116.11 159.3 21.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.32 137.25 49.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . 0.498 HG21 ' CG2' ' A' ' 471' ' ' ILE . 14.0 t -129.51 114.06 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.711 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 45.9 m -101.16 135.72 42.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . 0.411 HG13 ' OG ' ' A' ' 503' ' ' SER . 0.9 OUTLIER -131.49 122.3 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.711 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.1 m-30 -113.62 108.92 17.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.641 ' OH ' ' CE1' ' A' ' 481' ' ' PHE . 4.1 t80 -107.81 140.51 40.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.6 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 14.8 tttm -63.57 140.21 58.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 463' ' ' GLY . 0.0 OUTLIER -94.17 116.33 28.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -120.01 -5.36 10.78 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.555 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 0.7 OUTLIER -115.19 -64.8 1.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.0 p30 151.66 -48.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.491 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 60.2 p -137.88 60.35 23.61 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.491 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.05 150.37 37.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.559 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 13.5 m-85 -104.57 150.74 24.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.486 ' CG2' ' HG3' ' A' ' 456' ' ' MET . 1.9 tt -130.31 119.11 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.495 ' O ' ' N ' ' A' ' 480' ' ' ALA . 0.9 OUTLIER -94.71 117.25 29.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.572 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.685 ' CE1' ' CG1' ' A' ' 469' ' ' VAL . 3.4 p90 -135.34 152.79 51.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.574 ' HG2' ' CE2' ' A' ' 448' ' ' TRP . 0.0 OUTLIER -149.93 133.79 8.89 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.4 Cg_endo -75.02 133.48 16.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 443' ' ' PRO . . . -39.11 131.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 61.54 27.03 67.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -118.51 -136.22 5.4 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.24 147.95 32.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 110.006 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.629 ' CH2' ' ND2' ' A' ' 495' ' ' ASN . 88.1 m95 -75.27 160.32 30.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' THR . . . . . . . . . . . . . 2.7 m -74.55 -173.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -83.27 104.49 13.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.648 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -54.51 139.23 59.1 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.609 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -75.04 120.43 6.65 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.97 0.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.648 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.63 -130.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.564 HG11 ' CE2' ' A' ' 441' ' ' TYR . 7.1 p -132.11 137.83 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -58.02 108.62 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.489 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 29.3 mtm -55.57 137.54 48.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -64.87 172.07 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.45 131.76 34.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.574 ' HB3' ' CB ' ' A' ' 464' ' ' TYR . . . -111.97 102.25 10.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.0 pt-20 -57.34 -16.18 8.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.565 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -28.66 -46.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.4 m 153.71 44.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.432 ' O ' ' HB3' ' A' ' 432' ' ' LYS . . . 96.27 45.97 2.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.574 ' CB ' ' HB3' ' A' ' 459' ' ' ALA . 3.8 m-85 -126.13 177.75 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.489 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -120.73 151.01 40.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.652 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 51.3 mtpt -130.67 146.72 52.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . 0.483 ' CD1' ' HA ' ' A' ' 456' ' ' MET . 1.5 tp -151.7 130.3 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 3.4 m -123.28 123.23 40.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.685 ' CG1' ' CE1' ' A' ' 441' ' ' TYR . 10.2 t -132.01 135.76 57.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 424' ' ' ASN . 2.1 t70 -83.32 145.59 28.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.516 ' O ' ' O ' ' A' ' 474' ' ' ALA . 12.9 pt -139.82 28.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.572 ' CA ' ' H ' ' A' ' 424' ' ' ASN . . . -53.25 -16.06 4.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.452 1.095 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.71 2.48 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.003 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . 0.516 ' O ' ' O ' ' A' ' 471' ' ' ILE . . . -141.58 128.23 20.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 2.6 t -69.24 -8.97 50.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . 0.452 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 3.6 mt-30 -153.89 162.82 40.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.441 ' HB2' ' CG2' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -142.49 141.89 32.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 12.3 mp0 -98.03 147.78 24.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . 0.447 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -139.23 156.87 46.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -145.17 150.61 37.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.641 ' CE1' ' OH ' ' A' ' 430' ' ' TYR . 1.5 t80 -109.92 137.87 47.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.472 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.3 OUTLIER -161.59 134.31 6.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 487' ' ' ASN . 15.6 p-10 -69.24 -9.4 52.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.559 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 83.18 -10.56 58.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.17 -83.5 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.733 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.51 17.84 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' A' ' 483' ' ' ASP . 44.8 m-80 -123.29 119.35 29.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -113.72 179.85 3.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . 0.554 ' HB2' ' CD2' ' A' ' 481' ' ' PHE . 0.6 OUTLIER -170.08 96.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.685 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -134.44 119.41 18.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.559 ' C ' ' O ' ' A' ' 490' ' ' SER . 11.4 t-20 27.43 45.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 8.9 t-20 84.88 -45.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.685 ' N ' ' O ' ' A' ' 490' ' ' SER . 4.0 t 179.57 42.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.41 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 22.5 mttm -142.61 -73.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.629 ' ND2' ' CH2' ' A' ' 448' ' ' TRP . 3.5 m-20 156.69 144.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . 0.624 ' CD1' ' CD1' ' A' ' 516' ' ' ILE . 71.0 m-85 -89.2 158.14 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' SER . . . . . 0.483 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 6.8 t -131.06 139.01 49.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 110.027 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . 0.483 ' CD1' ' O ' ' A' ' 497' ' ' SER . 11.9 m-85 -138.7 147.62 42.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.527 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -102.87 152.13 21.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.942 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.527 ' C ' ' O ' ' A' ' 499' ' ' SER . 26.9 p -27.62 140.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.28 -150.46 17.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' THR . . . . . 0.503 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 4.1 m -128.75 133.38 48.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 110.387 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' SER . . . . . 0.411 ' OG ' HG13 ' A' ' 428' ' ' ILE . 78.0 p -134.57 149.11 50.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 4.8 m -116.08 138.08 51.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.354 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . 0.567 ' OH ' ' CE2' ' A' ' 496' ' ' TYR . 8.1 t80 -119.55 128.63 54.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.9 m -132.92 146.36 60.98 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.4 Cg_endo -74.97 144.52 30.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -108.56 -142.19 9.88 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 0.9 OUTLIER 156.29 154.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.733 . . . . 0.0 109.345 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.67 -84.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -110.2 -16.91 9.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -95.94 161.43 14.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -166.6 103.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 51.37 88.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.58 139.06 30.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . 0.624 ' CD1' ' CD1' ' A' ' 496' ' ' TYR . 4.2 mt -119.86 138.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.73 162.59 26.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 4.7 m -105.49 91.58 3.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.33 135.32 3.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.442 ' HB3' ' CE2' ' A' ' 429' ' ' TYR . . . -59.18 156.66 26.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 150.04 38.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.456 1.766 . . . . 0.0 110.99 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -112.38 55.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -170.8 120.95 0.88 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 2.7 m -151.89 136.91 17.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.402 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -178.42 -70.77 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.494 ' CG ' HG22 ' A' ' 500' ' ' THR . 5.7 m120 -128.46 158.87 37.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -130.15 147.54 51.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 3.4 t -129.28 120.72 51.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.701 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 51.9 m -106.86 136.26 47.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 2.6 mt -132.54 121.62 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.701 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.9 m-30 -114.65 113.12 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.626 ' CE2' ' CE1' ' A' ' 481' ' ' PHE . 6.5 t80 -108.64 141.19 40.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.572 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -63.76 139.68 58.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 6.0 ttmt -74.82 109.94 8.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.19 18.79 6.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.6 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 12.1 m-85 -152.32 -61.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.747 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 0.5 OUTLIER 148.01 -60.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.477 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 61.0 p -133.28 61.05 52.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.04 147.8 34.27 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.579 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 21.8 m-85 -98.52 152.22 19.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.465 HG21 ' CG ' ' A' ' 456' ' ' MET . 4.6 tt -131.79 122.51 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.569 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 1.0 OUTLIER -92.72 118.49 31.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.606 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.584 ' CD1' HG12 ' A' ' 469' ' ' VAL . 4.6 p90 -127.25 151.65 48.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.526 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.9 ttt180 -153.35 126.36 4.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.3 Cg_endo -75.01 134.49 17.87 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.799 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.83 101.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 106.86 5.91 35.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -110.44 -151.35 12.85 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.08 162.2 21.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.557 ' HB3' ' CE1' ' A' ' 440' ' ' HIS . 50.3 m95 -77.42 155.73 31.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.05 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' THR . . . . . 0.58 HG23 ' CE2' ' A' ' 441' ' ' TYR . 0.4 OUTLIER -76.31 -175.78 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.407 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -79.08 93.15 5.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.672 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.01 139.49 63.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.577 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.03 119.37 5.92 Favored 'Cis proline' 0 C--N 1.359 1.11 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.03 0.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.672 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 19.87 -136.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -131.94 135.69 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -54.55 108.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.482 ' CE ' ' HB3' ' A' ' 430' ' ' TYR . 7.4 mtp -53.86 127.01 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 466' ' ' LYS . 24.4 mt-30 -54.48 173.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.3 136.56 33.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.662 ' HB1' ' CB ' ' A' ' 464' ' ' TYR . . . -112.09 112.92 24.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.515 ' O ' ' C ' ' A' ' 461' ' ' ILE . 10.4 pt-20 -69.39 -18.36 63.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.558 ' O ' ' CB ' ' A' ' 462' ' ' SER . 0.9 OUTLIER -30.71 -46.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.9 OUTLIER 154.27 58.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 80.39 54.02 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.662 ' CB ' ' HB1' ' A' ' 459' ' ' ALA . 3.5 m-85 -132.58 -176.8 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 0.793 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -126.0 151.23 47.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.624 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 46.5 mtpt -133.32 148.18 51.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 467' ' ' ILE . 0.4 OUTLIER -151.29 136.31 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.7 m -122.97 128.0 49.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.584 HG12 ' CD1' ' A' ' 441' ' ' TYR . 26.1 t -134.27 129.72 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -84.72 144.88 28.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 473' ' ' SER . 29.9 pt -126.92 -39.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.478 ' HA2' ' N ' ' A' ' 424' ' ' ASN . . . 36.14 -90.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -54.61 -10.68 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.96 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . 0.524 ' O ' ' CD1' ' A' ' 471' ' ' ILE . . . -112.0 132.96 54.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.31 -13.77 54.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -151.92 163.32 39.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.576 ' CD2' ' C ' ' A' ' 477' ' ' LEU . 0.2 OUTLIER -140.64 134.28 30.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 2.4 tt0 -104.24 129.0 52.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.267 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . 0.569 ' HA ' ' O ' ' A' ' 440' ' ' HIS . . . -143.53 166.64 24.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . 0.508 ' CB ' ' HB3' ' A' ' 490' ' ' SER . . . -139.78 168.99 18.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.626 ' CE1' ' CE2' ' A' ' 430' ' ' TYR . 1.4 t80 -108.53 144.46 36.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.516 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.9 OUTLIER -160.26 136.25 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.563 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 14.1 p-10 -68.0 -16.0 63.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.579 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 93.99 -13.24 67.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -81.81 -83.52 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 0.753 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.86 17.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . 0.412 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 5.4 m-80 -119.78 117.64 28.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . 0.404 ' CD2' ' HB3' ' A' ' 482' ' ' ASN . 17.9 m95 -117.26 175.77 5.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.39 99.99 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.714 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -133.92 120.41 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.973 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.587 ' C ' ' O ' ' A' ' 490' ' ' SER . 10.0 t-20 24.36 49.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 51.7 t30 83.32 -46.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.714 ' N ' ' O ' ' A' ' 490' ' ' SER . 2.7 t 178.79 42.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.435 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 1.0 OUTLIER -140.28 -73.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.482 ' HA ' ' CB ' ' A' ' 490' ' ' SER . 1.7 m-80 158.76 146.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . 0.673 ' CD1' ' CD1' ' A' ' 516' ' ' ILE . 55.3 m-85 -94.23 147.0 23.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 17.8 t -117.87 133.07 56.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 496' ' ' TYR . 8.5 m-85 -133.44 142.34 48.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.494 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -97.81 154.03 17.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.521 HG23 ' CD1' ' A' ' 471' ' ' ILE . 34.9 p -30.47 145.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 121.07 -145.58 17.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' THR . . . . . 0.453 HG23 ' CG2' ' A' ' 427' ' ' THR . 33.9 m -129.4 137.09 50.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 0.0 110.427 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 10.5 p -130.71 148.53 52.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' THR . . . . . 0.405 ' OG1' ' HD3' ' A' ' 521' ' ' PRO . 17.1 m -111.54 138.19 48.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 3.2 t80 -122.0 123.86 42.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.9 m -129.44 146.52 61.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.2 Cg_endo -75.02 144.86 30.69 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.446 ' HA3' ' CB ' ' A' ' 512' ' ' ASN . . . -92.49 -129.93 5.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 508' ' ' GLY . 0.3 OUTLIER 164.45 87.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.94 -84.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -56.41 -27.31 53.32 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . 0.49 ' N ' HD21 ' A' ' 512' ' ' ASN . 1.8 m-80 -111.0 160.37 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -152.05 91.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 50.39 97.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.89 139.55 30.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.433 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . 0.673 ' CD1' ' CD1' ' A' ' 496' ' ' TYR . 3.1 mt -123.82 138.91 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.02 162.61 30.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.43 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 20.4 m -103.93 93.08 4.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 134.21 130.49 3.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.599 ' HB3' ' CD2' ' A' ' 429' ' ' TYR . . . -67.26 152.6 95.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . 0.405 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.3 Cg_endo -75.02 151.06 38.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -109.68 53.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -169.56 61.79 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 18.7 m -38.63 -42.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 110.352 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 94.59 90.29 1.68 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.563 1.165 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.465 ' H ' ' CA ' ' A' ' 472' ' ' GLY . 14.3 m120 -120.55 152.71 37.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 137.02 51.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . 0.458 HG22 ' CG2' ' A' ' 471' ' ' ILE . 4.4 t -127.63 120.59 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.701 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 66.1 m -105.72 127.3 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . 0.478 HG21 ' CD1' ' A' ' 439' ' ' ILE . 2.9 mt -125.02 120.57 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.701 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 14.3 m-30 -114.0 113.3 24.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.608 ' CE2' ' O ' ' A' ' 431' ' ' LYS . 11.0 t80 -107.76 140.16 41.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.608 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 3.6 tmtm? -62.73 140.39 58.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 4.2 ttmt -79.56 106.83 11.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -121.47 6.58 10.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.605 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 15.6 m-85 -136.67 -59.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.605 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.3 m120 147.99 -63.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.288 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.468 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 8.3 t -131.07 61.54 60.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.2 Cg_endo -75.01 156.17 42.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.579 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 7.1 m-85 -107.02 151.24 25.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 480' ' ' ALA . 2.4 tt -131.18 119.08 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.478 ' CD2' ' HA2' ' A' ' 453' ' ' GLY . 1.7 t-160 -93.33 120.74 33.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.611 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.599 ' CD1' HG12 ' A' ' 469' ' ' VAL . 5.7 p90 -123.74 150.68 44.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.507 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.3 ttp180 -147.03 125.04 6.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 133.7 16.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -56.15 102.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 113.93 0.67 24.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -116.34 -148.83 9.14 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 448' ' ' TRP . 12.0 t -121.61 -176.94 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.662 ' CZ2' ' ND2' ' A' ' 495' ' ' ASN . 71.5 m95 -91.08 162.13 14.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 107.995 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' THR . . . . . 0.464 ' O ' ' NE2' ' A' ' 440' ' ' HIS . 0.2 OUTLIER -77.34 -177.85 4.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -77.43 97.93 5.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.647 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.95 139.31 70.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.621 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.4 Cg_endo -74.93 120.53 6.7 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.024 -0.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.647 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.91 -130.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.409 HG13 ' CD1' ' A' ' 467' ' ' ILE . 10.1 p -133.03 138.94 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -60.19 113.14 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.464 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 37.7 mtm -59.39 128.75 38.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 466' ' ' LYS . 23.8 mm-40 -59.06 176.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.87 135.22 33.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.609 ' HB2' ' CB ' ' A' ' 464' ' ' TYR . . . -113.39 109.52 18.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 461' ' ' ILE . 12.8 pt-20 -66.15 -14.15 61.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.545 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -31.19 -46.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.4 m 155.19 44.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.29 48.21 2.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.609 ' CB ' ' HB2' ' A' ' 459' ' ' ALA . 3.2 m-85 -127.33 179.99 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.777 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -122.99 148.3 45.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.604 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 47.6 mtpt -128.24 146.25 50.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . 0.409 ' CD1' HG13 ' A' ' 454' ' ' VAL . 0.3 OUTLIER -151.67 129.12 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 3.2 m -120.93 125.42 47.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.599 HG12 ' CD1' ' A' ' 441' ' ' TYR . 14.7 t -132.99 136.92 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -89.96 146.62 24.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.557 ' O ' ' C ' ' A' ' 472' ' ' GLY . 8.7 pt -129.53 8.32 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.714 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -22.07 108.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.714 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 7.1 t 106.13 -13.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 471' ' ' ILE . . . -106.44 133.97 50.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.55 -15.7 56.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.041 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -155.35 161.73 40.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.488 ' HB2' ' CG2' ' A' ' 471' ' ' ILE . 0.1 OUTLIER -140.71 143.31 34.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.163 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 0.4 OUTLIER -95.99 148.18 22.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . . . . . . . . . . . -136.28 156.63 48.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . 0.493 ' O ' ' CG1' ' A' ' 439' ' ' ILE . . . -144.76 148.75 34.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.602 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 3.2 t80 -109.01 142.72 39.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.46 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.4 OUTLIER -160.54 148.17 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.574 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 15.9 p-10 -83.54 -11.53 57.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.579 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 88.34 -13.15 62.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -81.48 -84.37 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 0.773 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.46 18.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . 0.41 ' O ' ' OD1' ' A' ' 483' ' ' ASP . 4.5 m-80 -121.61 122.02 38.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . 0.419 ' CE3' ' OD1' ' A' ' 482' ' ' ASN . 7.4 m95 -114.88 -179.31 3.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 108.005 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . 0.446 ' HB2' ' CD2' ' A' ' 481' ' ' PHE . 0.2 OUTLIER -169.36 94.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.67 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -133.33 119.5 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 0.1 OUTLIER 31.21 41.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.565 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 16.4 t-20 87.08 -44.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.67 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.9 t 177.91 45.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.37 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 27.4 mttt -147.71 -73.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.662 ' ND2' ' CZ2' ' A' ' 448' ' ' TRP . 1.7 m-20 158.58 141.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . 0.546 ' HB3' ' CZ ' ' A' ' 498' ' ' PHE . 55.1 m-85 -88.17 161.56 17.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' SER . . . . . 0.489 ' C ' ' CD1' ' A' ' 498' ' ' PHE . 40.6 t -129.2 138.78 51.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . 0.581 ' N ' ' CD1' ' A' ' 498' ' ' PHE . 0.8 OUTLIER -141.88 145.34 34.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.525 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -97.68 146.14 25.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.525 ' C ' ' O ' ' A' ' 499' ' ' SER . 41.0 p -28.75 142.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 127.11 -144.1 14.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' THR . . . . . 0.479 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 1.3 m -129.54 131.3 46.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.2 p -130.94 149.31 52.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' THR . . . . . 0.434 ' OG1' ' HD3' ' A' ' 521' ' ' PRO . 37.3 m -111.97 138.69 48.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.448 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -121.26 122.45 39.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.489 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.1 m -129.62 147.31 64.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . 0.489 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.2 Cg_endo -74.99 145.52 31.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.477 ' CA ' ' HB2' ' A' ' 512' ' ' ASN . . . -92.82 -132.13 5.94 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 511' ' ' GLY . 1.1 m120 166.0 94.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.61 -81.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 509' ' ' ASN . . . -61.59 -22.52 61.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . 0.477 ' HB2' ' CA ' ' A' ' 508' ' ' GLY . 31.7 m120 -115.06 160.47 19.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -154.43 94.74 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 48.88 97.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.14 140.84 29.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . 0.528 HD11 ' CD1' ' A' ' 496' ' ' TYR . 11.3 mt -123.22 138.96 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.77 162.94 30.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.395 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 4.7 m -105.43 92.48 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 133.69 131.24 3.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.594 ' HB1' ' CE2' ' A' ' 429' ' ' TYR . . . -67.72 147.65 98.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . 0.434 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.1 Cg_endo -75.07 152.37 40.37 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . 47.32 20.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 521' ' ' PRO . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 0.0 110.947 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 125.58 -98.17 0.53 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 176.45 -45.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 110.423 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 88.69 100.96 0.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.05 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.482 ' CG ' HG21 ' A' ' 500' ' ' THR . 2.1 m120 -125.47 156.81 38.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 109.314 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.1 144.47 51.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . 0.413 HG22 ' CG2' ' A' ' 471' ' ' ILE . 2.4 t -129.89 117.03 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.697 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 96.1 m -103.22 135.52 44.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . 0.472 HD11 ' CD2' ' A' ' 498' ' ' PHE . 2.5 mt -133.21 122.15 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.697 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.3 m-30 -114.0 110.91 20.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.611 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.0 t80 -106.79 140.27 39.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.606 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -62.96 140.86 58.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.4 ttmm -82.81 109.73 17.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -126.53 16.03 6.66 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.58 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 28.9 m-85 -146.22 -63.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.58 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.2 m120 149.29 -63.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.464 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 58.1 m -130.25 61.77 60.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.02 144.08 29.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.584 ' CD2' ' HB2' ' A' ' 452' ' ' PRO . 76.4 m-85 -91.28 150.93 21.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.39 125.86 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.476 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 6.2 t60 -100.53 117.97 35.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.604 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.645 ' CE1' ' CG1' ' A' ' 469' ' ' VAL . 4.9 p90 -132.91 151.56 52.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.695 ' NH2' ' HE2' ' A' ' 478' ' ' GLU . 0.0 OUTLIER -153.53 131.99 6.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . 0.419 ' O ' ' HD2' ' A' ' 442' ' ' ARG . 18.1 Cg_endo -75.06 134.75 18.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . 0.454 ' HA ' ' NH2' ' A' ' 442' ' ' ARG . . . -44.43 135.95 4.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 64.49 16.01 60.15 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -109.51 -134.7 7.03 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.36 146.75 30.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.618 ' CE2' ' HG2' ' A' ' 442' ' ' ARG . 86.4 m95 -73.75 156.47 37.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 107.968 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' THR . . . . . 0.412 ' O ' ' CE1' ' A' ' 440' ' ' HIS . 1.7 p -73.32 -174.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.528 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -89.44 95.88 10.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.457 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -52.21 127.24 37.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.64 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -74.97 144.54 81.3 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.99 -0.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -45.74 -116.91 0.0 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 3.5 p -130.67 142.13 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . 0.447 ' O ' ' NE2' ' A' ' 457' ' ' GLN . 0.4 OUTLIER -68.53 115.02 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.494 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -46.28 120.04 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 455' ' ' LYS . 27.5 mm-40 -47.4 174.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.31 133.7 34.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.581 ' HB2' ' CB ' ' A' ' 464' ' ' TYR . . . -113.71 105.4 13.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.5 pt-20 -59.78 -15.5 20.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.561 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.2 mm -29.39 -47.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.0 OUTLIER 154.48 44.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.03 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.15 46.53 2.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.581 ' CB ' ' HB2' ' A' ' 459' ' ' ALA . 3.8 m-85 -126.84 179.89 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.494 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -124.07 147.22 48.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.63 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 51.1 mtpt -127.39 146.98 50.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . . . . . . . . . 3.2 tp -150.97 129.47 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.7 m -121.61 123.5 42.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.645 ' CG1' ' CE1' ' A' ' 441' ' ' TYR . 21.4 t -131.85 133.38 61.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.78 145.48 26.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 473' ' ' SER . 40.0 pt -121.96 -38.15 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.457 ' HA2' ' N ' ' A' ' 424' ' ' ASN . . . 36.88 -91.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -55.29 -13.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.988 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . 0.486 ' CB ' ' HB ' ' A' ' 471' ' ' ILE . . . -108.28 127.29 53.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.31 -13.03 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -153.37 161.78 41.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.484 ' HB2' ' CG2' ' A' ' 471' ' ' ILE . 0.2 OUTLIER -140.61 131.85 26.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.695 ' HE2' ' NH2' ' A' ' 442' ' ' ARG . 0.8 OUTLIER -111.56 135.69 51.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . 0.499 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -149.34 162.92 39.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -130.89 169.05 16.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.611 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.8 t80 -109.16 145.75 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.513 ' HB3' ' CG ' ' A' ' 488' ' ' TRP . 1.0 OUTLIER -161.58 137.88 8.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.435 ' OD2' ' ND2' ' A' ' 487' ' ' ASN . 20.1 p-10 -78.37 -6.91 56.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.556 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 81.55 -10.59 49.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.563 1.164 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . 0.563 ' O ' ' CB ' ' A' ' 486' ' ' ASN . 0.6 OUTLIER -82.63 -31.09 28.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . 0.563 ' CB ' ' O ' ' A' ' 485' ' ' ASN . 1.2 t30 151.68 -20.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . 0.435 ' ND2' ' OD2' ' A' ' 483' ' ' ASP . 20.8 m-80 -79.34 111.27 15.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . 0.513 ' CG ' ' HB3' ' A' ' 482' ' ' ASN . 11.3 m0 -116.12 165.68 12.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.01 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -148.72 108.97 4.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 492' ' ' ASN . 1.9 p -133.89 176.0 8.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.453 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 49.3 t30 -38.31 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.5 m-20 159.18 -22.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 1.8 t 177.89 28.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.436 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 19.0 mttt -145.75 -71.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.48 ' HA ' ' CB ' ' A' ' 490' ' ' SER . 0.6 OUTLIER 157.57 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -94.46 153.87 17.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.7 t -112.15 141.36 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . 0.472 ' CD2' HD11 ' A' ' 428' ' ' ILE . 15.6 m-85 -138.0 146.98 43.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.481 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.1 OUTLIER -107.88 154.84 21.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.035 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.482 HG21 ' CG ' ' A' ' 424' ' ' ASN . 36.8 p -32.4 143.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 119.0 -146.41 18.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' THR . . . . . 0.472 ' CG2' HG23 ' A' ' 427' ' ' THR . 11.2 m -129.17 137.84 51.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 9.1 p -132.78 148.68 52.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.946 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 3.8 m -111.02 139.02 46.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.373 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -120.23 125.78 49.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.7 m -133.2 147.0 63.36 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . 0.49 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.2 Cg_endo -75.01 145.98 32.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.599 1.842 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.475 ' O ' ' HB3' ' A' ' 509' ' ' ASN . . . -90.49 -139.53 7.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . 0.475 ' HB3' ' O ' ' A' ' 508' ' ' GLY . 4.5 p-10 157.41 101.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 0.741 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 512' ' ' ASN . 3.3 m 64.93 112.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 78.03 -37.53 1.73 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 510' ' ' SER . 5.7 m-80 -92.11 160.41 15.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 0.732 . . . . 0.0 109.295 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 514' ' ' GLY . . . -158.63 96.22 1.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 513' ' ' ALA . . . 50.79 103.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.67 142.57 27.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.74 . . . . 0.0 110.422 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . . . . . . . . . 1.6 mt -123.19 138.36 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.7 162.13 28.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 79.1 p -105.55 93.12 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.976 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.19 131.69 3.41 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.556 ' HB3' ' CE2' ' A' ' 429' ' ' TYR . . . -58.79 156.22 26.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 0.798 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 150.04 37.36 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -112.11 57.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.128 . . . . 0.0 110.995 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 143.11 136.02 3.11 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 13.5 t -84.29 161.43 20.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.421 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 160.36 -107.0 0.3 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.472 ' HB3' ' CG2' ' A' ' 500' ' ' THR . 26.6 m120 -75.75 153.99 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 426' ' ' VAL . 0.8 OUTLIER -128.1 145.73 50.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . 0.472 ' CG2' HD11 ' A' ' 471' ' ' ILE . 8.8 t -127.6 124.99 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.701 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 54.8 m -109.69 136.48 48.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 2.6 mt -132.51 122.03 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.701 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.6 m-30 -114.47 110.51 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.612 ' CE2' ' O ' ' A' ' 431' ' ' LYS . 19.4 t80 -107.06 139.38 41.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.612 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.4 OUTLIER -64.14 140.27 58.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.3 ttmt -76.82 104.69 7.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -119.37 7.01 12.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.614 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 17.2 m-85 -140.25 -60.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 111.053 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 12.8 m-20 147.07 -60.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.476 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 49.5 m -132.43 61.18 55.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.99 151.24 39.32 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.507 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 65.3 m-85 -99.02 151.31 21.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.436 ' O ' ' HA3' ' A' ' 453' ' ' GLY . 0.1 OUTLIER -133.09 119.12 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 448' ' ' TRP . 2.9 t60 -92.36 121.23 33.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.611 ' CZ ' ' CG2' ' A' ' 449' ' ' THR . 6.6 p90 -129.34 151.78 49.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.53 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.9 ttt180 -153.35 125.11 3.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.333 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.88 18.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.86 101.8 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 104.66 8.47 37.31 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.13 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -111.64 -152.95 12.3 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.9 155.45 35.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.044 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.53 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 36.7 m95 -70.58 158.88 35.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.038 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' THR . . . . . 0.611 ' CG2' ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -81.58 -175.29 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -81.12 96.07 7.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.679 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -58.48 138.77 85.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.619 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.96 118.62 5.41 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.977 -2.51 . . . . 0.0 111.024 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.679 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 13.27 -130.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 14.6 p -132.96 138.69 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.57 110.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.467 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 24.4 mtm -50.82 123.64 9.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 466' ' ' LYS . 13.9 mt-30 -52.83 174.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.63 131.98 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.359 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.575 ' HB3' ' CB ' ' A' ' 464' ' ' TYR . . . -110.5 107.95 17.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.4 pt-20 -59.67 -15.09 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.239 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.576 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.2 mm -30.06 -45.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.2 m 152.76 44.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.036 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 95.72 45.73 2.86 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.575 ' CB ' ' HB3' ' A' ' 459' ' ' ALA . 2.3 m-85 -123.05 -179.82 4.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 0.731 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -124.75 144.34 50.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.637 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 56.5 mtpt -126.13 143.91 50.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . . . . . . . . . 3.3 tp -150.89 129.7 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' THR . . . . . 0.411 HG21 ' CD ' ' A' ' 425' ' ' LYS . 1.5 m -119.0 122.81 43.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.579 HG12 ' CE1' ' A' ' 441' ' ' TYR . 44.1 t -124.54 127.11 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.05 145.3 30.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.618 ' O ' ' N ' ' A' ' 473' ' ' SER . 11.1 pt -131.68 28.0 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.638 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -51.63 78.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.2 m 148.27 -15.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 0.742 . . . . 0.0 109.944 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . . . . . . . . . . . -123.57 135.49 54.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.0 -8.19 57.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -154.51 162.4 41.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.553 ' CD2' ' C ' ' A' ' 477' ' ' LEU . 0.2 OUTLIER -141.95 139.36 32.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 3.2 tt0 -107.34 128.08 54.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . 0.54 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -144.85 162.34 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -138.47 168.54 19.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.594 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.1 t80 -109.53 145.42 36.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.506 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.5 OUTLIER -162.33 135.61 6.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.432 ' OD2' ' N ' ' A' ' 483' ' ' ASP . 10.6 p-10 -75.78 -6.4 50.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 81.87 -14.45 31.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.143 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 486' ' ' ASN . 0.7 OUTLIER -76.6 -32.48 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.329 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 485' ' ' ASN . 1.4 m120 152.45 -19.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . 0.421 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 37.9 m-80 -82.31 112.15 19.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -113.74 171.08 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 107.995 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 481' ' ' PHE . 0.6 OUTLIER -149.6 107.8 3.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 492' ' ' ASN . 14.6 m -132.95 175.57 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 50.0 t30 -38.97 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 490' ' ' SER . 0.8 OUTLIER 159.83 -22.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 1.8 t 177.47 30.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.39 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 0.5 OUTLIER -146.64 -71.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 494' ' ' LYS . 6.4 p-10 157.6 166.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . 0.48 ' O ' ' CG ' ' A' ' 478' ' ' GLU . 47.7 m-85 -95.92 152.79 18.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 48.5 t -115.41 139.1 50.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . 0.444 ' CZ ' ' HB2' ' A' ' 496' ' ' TYR . 8.9 m-85 -137.59 143.21 41.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.508 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -100.06 149.63 23.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.516 HG22 ' CD1' ' A' ' 471' ' ' ILE . 41.4 p -28.67 141.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 125.51 -146.63 16.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.434 1.084 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' THR . . . . . 0.445 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 8.1 m -129.87 138.59 51.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.455 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 6.3 p -133.86 148.02 51.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 6.0 m -115.19 137.95 51.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.447 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -121.76 118.96 30.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 3.0 m -118.69 121.85 30.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.19 26.31 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.477 1.778 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.604 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -42.37 -85.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.54 1.15 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . 0.604 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 3.3 t-20 90.12 58.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 509' ' ' ASN . 0.5 OUTLIER 159.69 -64.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.028 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -165.32 27.58 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 111.066 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . 0.588 ' ND2' ' N ' ' A' ' 513' ' ' ALA . 0.9 OUTLIER -118.6 160.16 22.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.588 ' N ' ' ND2' ' A' ' 512' ' ' ASN . . . -85.19 -125.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -124.93 114.62 2.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.93 138.46 31.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 110.453 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . . . . . . . . . 4.3 mt -123.58 138.07 54.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 1.2 p -126.5 162.06 26.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 58.5 m -105.38 91.5 3.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 132.94 132.57 3.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.552 1.158 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.473 ' HB3' ' CE2' ' A' ' 429' ' ' TYR . . . -59.27 156.58 28.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 109.333 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 149.64 36.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -117.89 61.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -159.06 166.23 34.51 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.11 -5.87 54.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 77.14 78.19 0.76 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.426 ' CG ' HG22 ' A' ' 500' ' ' THR . 10.8 m-80 -93.62 156.65 16.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 470' ' ' ASP . 5.8 tppt? -128.7 146.34 50.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . 0.517 ' CG2' HD12 ' A' ' 471' ' ' ILE . 9.9 t -133.77 123.8 46.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.693 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 74.5 m -112.21 134.18 53.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -132.93 122.76 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.693 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.2 m-30 -114.2 113.06 24.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.614 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.2 t80 -107.39 140.55 40.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.555 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -62.71 140.78 58.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.8 ttmt -74.07 117.53 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.41 10.02 6.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.557 ' CZ ' ' OD2' ' A' ' 483' ' ' ASP . 0.4 OUTLIER -144.14 -70.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 110.959 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 0.4 OUTLIER 154.42 -25.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.505 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 46.0 m -166.29 59.34 0.54 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.03 150.57 38.22 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 20.8 m-85 -97.74 152.11 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.463 ' HB ' ' CE ' ' A' ' 456' ' ' MET . 0.2 OUTLIER -132.9 123.72 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.73 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 21.6 t60 -96.46 122.98 39.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.624 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.664 ' CE1' ' CG1' ' A' ' 469' ' ' VAL . 6.7 p90 -129.97 152.47 49.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.519 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.5 ttt180 -152.65 125.92 4.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 134.95 18.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.796 . . . . 0.0 111.051 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -54.48 102.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 105.69 5.71 38.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -109.16 -150.24 13.69 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.28 154.98 44.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.777 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.73 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 41.3 m95 -69.65 158.29 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 0.0 108.039 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' THR . . . . . 0.517 HG22 ' CZ ' ' A' ' 441' ' ' TYR . 2.1 m -83.63 -171.16 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.365 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -80.67 100.15 8.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.599 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -63.99 132.07 95.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.658 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -75.05 121.9 7.77 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.981 0.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.658 ' C ' ' O ' ' A' ' 452' ' ' PRO . . . -0.47 -118.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.403 ' CG1' HD13 ' A' ' 467' ' ' ILE . 0.3 OUTLIER -132.36 157.56 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.262 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -78.84 106.07 10.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.474 ' HE2' ' CD2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -42.18 120.85 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.94 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 466' ' ' LYS . 41.6 mm-40 -52.68 174.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.52 133.83 34.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.628 ' HB2' ' CB ' ' A' ' 464' ' ' TYR . . . -113.74 108.04 16.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' ' 461' ' ' ILE . 10.6 pt-20 -63.25 -18.77 63.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' A' ' 462' ' ' SER . 1.0 OUTLIER -29.66 -47.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.2 m 155.73 60.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 77.98 47.6 8.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.628 ' CB ' ' HB2' ' A' ' 459' ' ' ALA . 4.2 m-85 -125.14 177.33 6.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -122.96 144.91 48.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.611 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 50.9 mtpt -125.01 146.28 49.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . 0.403 HD13 ' CG1' ' A' ' 454' ' ' VAL . 3.5 tp -151.28 128.89 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 3.4 m -125.0 121.24 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.664 ' CG1' ' CE1' ' A' ' 441' ' ' TYR . 15.0 t -130.9 140.48 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.407 ' HA ' ' HA ' ' A' ' 425' ' ' LYS . 3.2 t70 -89.97 146.75 24.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.517 HD12 ' CG2' ' A' ' 426' ' ' VAL . 7.3 pt -116.21 -14.38 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 74.01 -101.42 1.22 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.7 -12.83 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.803 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . 0.493 ' CB ' ' HB ' ' A' ' 471' ' ' ILE . . . -52.71 124.58 14.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 1.4 t -74.19 -15.61 61.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.003 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . 0.402 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 7.8 mt-30 -156.77 163.28 39.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.271 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.86 134.98 32.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 0.5 OUTLIER -102.02 129.26 48.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . 0.531 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -147.69 162.02 40.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . 0.45 ' O ' ' CD1' ' A' ' 439' ' ' ILE . . . -138.67 168.7 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.614 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.7 t80 -110.49 146.67 35.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.518 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 3.6 p30 -162.17 146.85 12.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.557 ' OD2' ' CZ ' ' A' ' 434' ' ' PHE . 30.7 p30 -89.4 30.45 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.559 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 38.59 28.67 0.06 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 483' ' ' ASP . 0.2 OUTLIER -122.43 -47.82 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 109.276 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 171.4 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . 0.422 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 42.2 m-80 -75.38 111.76 10.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . 0.429 ' CD1' ' HB2' ' A' ' 482' ' ' ASN . 11.9 m0 -113.57 167.56 10.5 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . 0.419 ' CG ' ' OH ' ' A' ' 505' ' ' TYR . 11.9 t0 -148.51 107.32 3.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 492' ' ' ASN . 1.7 p -131.47 175.6 9.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.445 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 61.2 t30 -38.14 -29.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.5 m-20 160.46 -23.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.436 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 2.5 t 178.61 29.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.403 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 10.0 mttt -146.43 -71.59 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.49 ' HA ' ' CB ' ' A' ' 490' ' ' SER . 6.5 p-10 156.76 167.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . 0.627 ' CD1' ' CD1' ' A' ' 516' ' ' ILE . 84.3 m-85 -94.46 156.98 16.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 28.3 t -120.0 136.37 54.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -134.22 140.75 46.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.526 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -99.14 151.16 21.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.028 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.526 ' C ' ' O ' ' A' ' 499' ' ' SER . 23.9 p -27.75 140.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.438 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 122.57 -150.67 16.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' THR . . . . . 0.506 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 10.4 m -127.98 136.59 51.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 110.422 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.87 147.53 52.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.96 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 8.5 m -108.26 138.77 43.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . 0.419 ' OH ' ' CG ' ' A' ' 489' ' ' ASP . 11.9 t80 -120.8 125.56 47.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.498 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.8 m -131.86 147.03 64.29 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.444 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . 0.498 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.3 Cg_endo -74.98 144.36 30.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.546 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -92.48 -138.8 8.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.423 1.077 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . 0.546 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 4.0 p30 152.58 105.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' SER . . . . . 0.417 ' C ' ' H ' ' A' ' 512' ' ' ASN . 3.3 m 64.1 111.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 77.24 -40.38 1.72 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' A' ' 510' ' ' SER . 5.8 m-80 -87.33 160.92 18.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -160.76 97.54 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 50.43 101.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.15 140.43 29.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.399 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . 0.627 ' CD1' ' CD1' ' A' ' 496' ' ' TYR . 4.8 mt -123.5 137.91 55.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.57 161.34 29.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.422 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 6.2 m -104.56 92.26 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.944 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 127.0 131.99 3.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.581 ' HB1' ' CE2' ' A' ' 429' ' ' TYR . . . -60.12 155.17 46.64 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 150.93 38.97 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -111.42 56.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -47.09 175.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 4.7 t -167.22 103.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 0.773 . . . . 0.0 110.372 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 160.65 81.23 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.456 ' CG ' HG22 ' A' ' 500' ' ' THR . 12.8 m120 -123.78 156.22 36.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.18 139.14 52.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . 0.463 ' CG2' HD11 ' A' ' 471' ' ' ILE . 29.1 t -129.17 128.49 66.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.702 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 88.3 m -117.81 133.58 55.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.36 121.91 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.702 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 14.1 m-30 -113.09 114.4 26.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.604 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 28.3 t80 -107.9 139.86 41.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 9.8 tttt -63.0 140.21 58.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.6 ttmm -76.26 105.2 7.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -123.15 13.27 8.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.595 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 32.5 m-85 -145.59 -64.1 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.595 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 7.8 p-10 148.34 -54.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.475 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 24.4 p -137.93 61.06 26.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.475 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.1 Cg_endo -75.02 146.23 32.31 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.506 1.793 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.571 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 56.0 m-85 -94.19 148.83 21.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.445 ' C ' HD12 ' A' ' 439' ' ' ILE . 0.1 OUTLIER -131.63 119.47 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.578 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 5.2 t60 -93.44 125.8 38.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.648 ' CE1' ' CG1' ' A' ' 469' ' ' VAL . 8.7 p90 -133.98 153.13 51.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.5 ' O ' HD22 ' A' ' 477' ' ' LEU . 1.3 ttt180 -156.38 126.26 3.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.44 17.79 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.7 99.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.39 2.98 29.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -107.02 -149.39 15.86 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.97 157.63 40.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.578 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 50.5 m95 -73.18 156.88 38.14 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' THR . . . . . 0.556 HG22 ' CZ ' ' A' ' 441' ' ' TYR . 1.3 m -83.6 -174.24 5.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -76.85 97.72 4.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.669 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -62.36 137.79 96.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.659 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.0 119.52 6.02 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.026 -0.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.669 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 8.37 -126.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.92 150.74 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . 0.452 ' O ' ' NE2' ' A' ' 457' ' ' GLN . 2.5 ttmt -69.89 111.34 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.469 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 24.8 mtm -50.84 126.83 16.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 455' ' ' LYS . 35.1 mm-40 -53.91 174.4 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.251 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.36 131.89 35.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.606 ' HB1' ' CB ' ' A' ' 464' ' ' TYR . . . -108.57 117.11 33.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 461' ' ' ILE . 11.3 pt-20 -67.52 -19.7 65.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.557 ' O ' ' CB ' ' A' ' 462' ' ' SER . 0.9 OUTLIER -29.58 -45.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.3 m 154.29 58.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 78.34 52.45 5.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.053 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.606 ' CB ' ' HB1' ' A' ' 459' ' ' ALA . 1.9 m-85 -126.96 -178.13 4.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 111.018 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -125.06 146.06 49.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.629 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 47.4 mtpt -130.21 143.76 50.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . 0.429 ' CD1' ' HA ' ' A' ' 456' ' ' MET . 3.2 tp -151.0 130.63 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 5.3 m -127.28 121.78 32.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.41 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.648 ' CG1' ' CE1' ' A' ' 441' ' ' TYR . 4.2 t -132.24 137.68 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 472' ' ' GLY . 4.4 t70 -82.51 146.48 29.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.538 ' O ' ' C ' ' A' ' 472' ' ' GLY . 16.7 pt -125.79 7.83 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.678 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -26.09 116.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.039 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.678 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 4.7 t 102.02 -12.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.977 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 471' ' ' ILE . . . -114.74 130.1 56.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.42 -11.84 59.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . 0.408 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 4.5 mt-30 -154.75 161.37 41.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.522 ' C ' ' CD1' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -132.46 142.07 49.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.446 ' N ' ' CD2' ' A' ' 477' ' ' LEU . 0.5 OUTLIER -115.18 128.93 56.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . 0.521 ' HA ' ' O ' ' A' ' 440' ' ' HIS . . . -147.23 163.54 36.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . 0.521 ' CB ' ' OD1' ' A' ' 495' ' ' ASN . . . -138.03 168.43 19.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.604 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.3 t80 -109.4 145.12 36.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.606 ' OD1' ' CE3' ' A' ' 488' ' ' TRP . 0.4 OUTLIER -162.17 138.75 7.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.527 ' CB ' ' CE2' ' A' ' 434' ' ' PHE . 18.1 p-10 -80.14 -10.02 59.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.571 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 83.0 -13.53 43.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . 0.551 ' O ' ' CB ' ' A' ' 486' ' ' ASN . 0.8 OUTLIER -77.87 -31.21 51.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 485' ' ' ASN . 0.9 OUTLIER 152.49 -18.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.261 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . 0.452 ' ND2' ' OD2' ' A' ' 483' ' ' ASP . 19.5 m-80 -83.23 113.21 20.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . 0.606 ' CE3' ' OD1' ' A' ' 482' ' ' ASN . 14.0 m95 -113.43 170.05 8.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 481' ' ' PHE . 0.1 OUTLIER -149.83 108.37 3.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 492' ' ' ASN . 59.7 p -129.44 178.98 6.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.017 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.574 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 22.7 t30 -67.76 58.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.574 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 4.8 t-20 89.17 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.521 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 0.9 OUTLIER 168.55 39.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.476 ' O ' ' ND2' ' A' ' 495' ' ' ASN . 0.0 OUTLIER -143.53 -74.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.521 ' OD1' ' CB ' ' A' ' 480' ' ' ALA . 1.2 m-80 160.06 156.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 498' ' ' PHE . 61.2 m-85 -85.17 151.6 23.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 15.3 t -115.15 133.97 55.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . 0.611 ' N ' ' CD1' ' A' ' 498' ' ' PHE . 0.6 OUTLIER -135.19 143.19 46.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.55 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -99.61 145.46 27.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.55 ' C ' ' O ' ' A' ' 499' ' ' SER . 45.4 p -26.62 139.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 125.5 -144.95 15.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 10.0 m -129.75 137.96 50.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.413 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.7 p -133.03 148.75 52.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 5.1 m -108.09 139.0 43.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.438 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -123.06 123.67 41.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.482 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 4.0 m -130.46 146.05 60.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.397 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . 0.482 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.4 Cg_endo -74.97 145.15 31.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 512' ' ' ASN . . . -92.01 -130.26 5.0 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 164.88 85.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.8 -81.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -57.11 -21.86 40.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . 0.403 ' CB ' ' HA3' ' A' ' 508' ' ' GLY . 2.2 m-80 -117.52 160.99 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -149.89 92.43 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 49.06 100.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.552 1.158 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.84 139.74 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . 0.507 HD13 ' CE1' ' A' ' 496' ' ' TYR . 3.1 mt -123.43 139.57 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.55 162.3 27.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 13.6 p -108.01 92.94 4.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 126.88 133.45 3.82 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.453 ' HB1' ' CD2' ' A' ' 429' ' ' TYR . . . -59.07 153.33 46.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 0.799 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 150.98 39.0 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -114.82 59.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 107.89 130.71 6.36 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 8.7 t -87.43 169.36 12.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.403 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . 0.484 ' N ' ' HA2' ' A' ' 472' ' ' GLY . . . 162.66 -69.78 0.22 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 472' ' ' GLY . 17.9 m120 -86.55 152.92 22.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 146.7 50.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 13.6 t -132.05 124.21 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.351 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.696 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 88.1 m -111.89 135.09 52.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.444 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.2 mp -132.12 122.66 49.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.696 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.3 m-30 -114.33 111.32 21.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.652 ' CE1' ' O ' ' A' ' 431' ' ' LYS . 0.1 OUTLIER -107.18 139.18 42.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.652 ' O ' ' CE1' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -62.65 139.98 58.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 1.4 ttmm -72.86 114.67 11.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -124.43 1.36 8.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 483' ' ' ASP . 1.0 OUTLIER -135.68 -68.25 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 111.016 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.5 p30 152.97 -29.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 97.5 p -164.24 60.4 0.81 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.054 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 430' ' ' TYR . 18.3 Cg_endo -74.97 160.5 40.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.571 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 27.8 m-85 -104.97 150.87 24.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.51 ' CD1' ' O ' ' A' ' 480' ' ' ALA . 0.3 OUTLIER -131.5 118.98 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 480' ' ' ALA . 1.8 t-160 -92.27 123.55 35.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.61 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.591 ' CD1' HG12 ' A' ' 469' ' ' VAL . 7.1 p90 -125.95 151.13 47.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.538 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.0 ttt180 -152.23 122.84 3.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.33 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.1 Cg_endo -75.03 134.08 17.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.55 1.816 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -52.94 98.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.85 4.22 28.02 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -108.98 -150.91 14.25 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.5 156.79 38.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.538 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 33.8 m95 -71.06 160.02 33.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' THR . . . . . 0.55 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -82.24 -178.91 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -78.84 99.43 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.663 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -57.32 140.19 79.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.0 120.01 6.36 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.017 -0.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.663 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.81 -129.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 10.2 p -132.6 139.76 49.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -60.1 121.37 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.51 ' CE ' ' HB3' ' A' ' 430' ' ' TYR . 34.7 mtp -70.91 138.06 49.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.24 174.32 5.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.82 135.28 35.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.581 ' HB3' ' CB ' ' A' ' 464' ' ' TYR . . . -111.0 106.24 15.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.1 pt-20 -60.92 -13.38 15.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.571 ' O ' ' CB ' ' A' ' 462' ' ' SER . 3.6 mm -32.84 -46.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 153.72 44.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.936 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.13 48.34 2.26 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.59 ' CD2' ' HA ' ' A' ' 431' ' ' LYS . 3.6 m-85 -129.24 -177.2 4.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -125.15 150.27 47.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.632 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 47.5 mtpt -129.47 148.45 51.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 456' ' ' MET . 4.9 tp -150.6 129.36 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.8 m -121.35 119.26 31.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.591 HG12 ' CD1' ' A' ' 441' ' ' TYR . 25.5 t -129.84 128.67 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 472' ' ' GLY . 2.9 t70 -83.71 146.64 28.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.534 ' HB ' ' CB ' ' A' ' 474' ' ' ALA . 9.2 pt -120.3 -10.26 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.484 ' HA2' ' N ' ' A' ' 423' ' ' GLY . . . 72.87 -100.36 1.01 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.73 -13.99 15.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . 0.534 ' CB ' ' HB ' ' A' ' 471' ' ' ILE . . . -40.05 130.83 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.61 -22.02 60.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -157.41 163.25 38.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.686 ' C ' ' CD1' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -136.83 141.33 42.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.48 ' O ' HD21 ' A' ' 477' ' ' LEU . 0.2 OUTLIER -97.98 142.54 29.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . 0.443 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -134.0 156.17 48.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . 0.51 ' O ' ' CD1' ' A' ' 439' ' ' ILE . . . -145.63 146.81 31.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.521 ' CE1' ' CE2' ' A' ' 430' ' ' TYR . 4.1 t80 -109.76 138.86 45.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 438' ' ' TYR . 2.2 p30 -162.93 135.3 5.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 17.8 p-10 -71.1 -6.77 41.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.571 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 83.21 -16.29 29.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.94 -82.06 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 0.763 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -156.96 18.11 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . 0.429 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 52.0 m-80 -120.48 118.34 30.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -115.12 172.93 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 108.036 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 481' ' ' PHE . 0.2 OUTLIER -163.44 92.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.694 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -134.04 119.35 18.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.976 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.577 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 10.3 t-20 30.33 42.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.577 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 5.6 t-20 87.98 -44.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.694 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.9 t 178.19 39.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 110.459 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 2.5 mttt -140.34 -74.16 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.522 ' ND2' ' CZ2' ' A' ' 448' ' ' TRP . 1.3 m-20 160.28 139.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . 0.605 ' HB3' ' CZ ' ' A' ' 498' ' ' PHE . 33.1 m-85 -83.4 158.5 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 32.7 t -131.91 128.14 37.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.047 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . 0.605 ' CZ ' ' HB3' ' A' ' 496' ' ' TYR . 5.7 m-85 -132.99 151.24 52.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -100.24 149.73 23.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.002 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.538 ' C ' ' O ' ' A' ' 499' ' ' SER . 34.2 p -27.35 140.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 129.0 -148.3 18.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 18.1 m -127.49 138.16 52.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.367 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.3 p -136.16 149.42 48.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 2.9 m -115.64 138.86 50.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -119.63 126.45 51.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.489 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.4 m -127.89 147.32 62.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . 0.489 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.4 Cg_endo -74.99 144.31 30.13 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.477 ' HA3' ' CB ' ' A' ' 512' ' ' ASN . . . -95.48 -131.93 6.77 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . 0.457 ' O ' ' ND2' ' A' ' 509' ' ' ASN . 3.7 t30 165.86 97.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.778 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.08 -86.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -57.29 -33.6 65.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . 0.477 ' CB ' ' HA3' ' A' ' 508' ' ' GLY . 26.4 m120 -100.35 160.48 14.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -154.9 97.2 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 43.95 95.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.18 138.14 31.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.37 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . 0.587 HG21 ' CE1' ' A' ' 498' ' ' PHE . 2.0 mt -124.04 139.61 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.49 162.23 28.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 2.6 m -106.39 94.08 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 132.37 134.78 3.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.413 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.25 156.03 31.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 150.12 37.66 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -115.43 57.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -146.75 150.62 22.91 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 1.4 t -113.47 -37.57 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.426 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 92.97 81.94 1.5 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.438 ' CG ' HG21 ' A' ' 500' ' ' THR . 24.2 m120 -108.37 157.97 17.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -128.08 142.56 51.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . 0.484 HG22 ' CG2' ' A' ' 471' ' ' ILE . 13.5 t -129.15 124.76 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.719 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 23.8 m -113.69 136.15 53.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.389 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . 0.472 HD12 ' CB ' ' A' ' 479' ' ' ALA . 5.4 mt -132.76 122.85 47.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.719 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 17.5 m-30 -115.14 110.77 20.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.642 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 5.1 t80 -107.91 140.24 41.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -64.85 140.62 58.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.5 ttmm -74.46 118.5 17.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.83 1.34 6.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 483' ' ' ASP . 0.2 OUTLIER -134.51 -68.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.535 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.6 p30 152.54 -32.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.502 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 79.1 p -157.06 59.72 1.89 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.054 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.502 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.96 152.56 41.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.811 . . . . 0.0 111.064 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.544 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 32.9 m-85 -101.99 146.21 28.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.43 ' C ' ' HA3' ' A' ' 453' ' ' GLY . 7.3 tt -123.49 117.32 50.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.844 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 47.8 t60 -94.04 117.22 29.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.625 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.657 ' CE1' ' CG1' ' A' ' 469' ' ' VAL . 10.4 p90 -130.19 153.89 48.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.588 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.9 ttt180 -151.42 123.71 4.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.12 17.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.25 99.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.39 4.82 28.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -110.69 -151.88 12.77 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.56 156.35 39.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.977 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.844 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 35.1 m95 -68.48 164.44 21.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.023 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' THR . . . . . 0.509 HG22 ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -87.49 177.48 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -74.03 94.24 2.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.648 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -54.96 139.19 63.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.599 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.97 120.17 6.46 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.004 -0.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.648 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.95 -133.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.469 HG12 ' CD1' ' A' ' 467' ' ' ILE . 2.6 p -132.26 135.76 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -57.24 109.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.539 ' HE1' ' CD2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -52.9 124.93 15.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 466' ' ' LYS . 6.8 mm100 -51.3 174.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.45 134.02 34.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.587 ' HB2' ' CB ' ' A' ' 464' ' ' TYR . . . -113.8 103.37 11.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.1 pt-20 -60.08 -15.5 23.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.567 ' O ' ' CB ' ' A' ' 462' ' ' SER . 5.2 mm -28.95 -47.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.3 m 153.85 44.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.49 47.48 2.15 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.587 ' CB ' ' HB2' ' A' ' 459' ' ' ALA . 4.0 m-85 -128.73 177.06 7.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.43 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -122.31 147.72 45.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.653 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 54.2 mtpt -130.32 144.0 51.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . 0.469 ' CD1' HG12 ' A' ' 454' ' ' VAL . 0.2 OUTLIER -150.55 130.06 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 5.2 m -123.77 127.84 48.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.657 ' CG1' ' CE1' ' A' ' 441' ' ' TYR . 4.4 t -133.18 136.37 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -85.36 145.48 27.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.595 ' O ' ' N ' ' A' ' 473' ' ' SER . 8.4 pt -129.33 24.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.648 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -48.28 83.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.9 m 147.1 -15.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . . . . . . . . . . . -125.9 141.26 52.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.113 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 15.2 m -88.75 1.84 54.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . 0.451 ' NE2' ' OG ' ' A' ' 497' ' ' SER . 2.5 tm0? -155.36 146.79 22.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 110.345 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.647 ' C ' ' CD1' ' A' ' 477' ' ' LEU . 0.1 OUTLIER -131.7 141.68 49.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.518 ' C ' HD12 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -99.35 145.32 27.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.217 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . 0.472 ' CB ' HD12 ' A' ' 428' ' ' ILE . . . -140.04 158.23 44.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . 0.496 ' CB ' ' OD1' ' A' ' 495' ' ' ASN . . . -151.06 151.22 31.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.642 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.3 t80 -110.81 139.87 45.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.501 ' HB3' ' CD2' ' A' ' 488' ' ' TRP . 0.4 OUTLIER -161.41 144.05 12.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.551 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 30.0 p-10 -91.12 31.93 1.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.544 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 37.13 30.58 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 483' ' ' ASP . 0.3 OUTLIER -124.6 -74.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.314 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -152.4 -27.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . 0.402 ' ND2' ' OD2' ' A' ' 483' ' ' ASP . 22.0 m-80 -75.32 112.37 11.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . 0.501 ' CD2' ' HB3' ' A' ' 482' ' ' ASN . 51.1 m95 -123.1 97.03 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 107.993 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . 0.49 ' HB2' ' CD2' ' A' ' 481' ' ' PHE . 0.9 OUTLIER -80.32 114.37 19.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 492' ' ' ASN . 83.0 p -133.06 177.74 7.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.586 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 27.1 t30 -68.32 57.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.586 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 7.0 t-20 90.32 -35.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.562 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 0.6 OUTLIER 163.22 40.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 8.6 mttm -144.78 -68.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.548 ' CB ' ' O ' ' A' ' 494' ' ' LYS . 9.3 m-20 152.31 155.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . 0.592 ' HB3' ' CZ ' ' A' ' 498' ' ' PHE . 65.8 m-85 -86.48 157.24 19.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' SER . . . . . 0.539 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 1.5 t -131.3 137.25 48.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . 0.592 ' CZ ' ' HB3' ' A' ' 496' ' ' TYR . 9.9 m-85 -142.17 141.97 32.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.549 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -90.44 149.92 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.549 ' C ' ' O ' ' A' ' 499' ' ' SER . 22.2 p -26.54 138.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 130.0 -148.4 18.47 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' THR . . . . . 0.474 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 5.9 m -128.18 137.9 52.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 5.1 p -133.86 148.73 51.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 3.9 m -110.74 139.27 46.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 110.422 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . 0.422 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 20.4 t80 -121.32 125.31 46.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.515 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.2 m -130.65 147.8 67.52 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . 0.515 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.2 Cg_endo -74.98 144.96 30.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.486 ' CA ' ' HB2' ' A' ' 512' ' ' ASN . . . -90.88 -133.93 5.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 168.14 87.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.76 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.47 -89.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -53.69 -35.15 51.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . 0.486 ' HB2' ' CA ' ' A' ' 508' ' ' GLY . 4.4 m120 -97.86 160.41 14.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -152.57 94.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 47.53 98.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.84 138.49 31.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 0.798 . . . . 0.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . 0.576 HD11 ' CE1' ' A' ' 496' ' ' TYR . 2.5 mt -123.39 138.19 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.49 162.11 27.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 5.1 m -105.41 93.43 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 128.68 132.08 3.49 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.34 155.84 33.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.63 37.02 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -115.63 58.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -177.29 63.11 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 2.9 m -129.91 121.44 26.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.343 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -152.36 -73.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.487 ' CG ' HG21 ' A' ' 500' ' ' THR . 3.1 m-80 -129.72 163.47 26.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -123.4 152.18 41.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.05 132.81 69.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.708 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 53.0 m -122.25 132.5 54.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.427 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.6 mt -132.21 123.19 50.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.708 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.5 m-30 -114.37 110.82 20.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 431' ' ' LYS . 16.5 t80 -105.59 139.01 40.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.611 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -64.98 139.52 58.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 0.4 OUTLIER -73.9 112.05 9.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -121.19 0.04 11.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 483' ' ' ASP . 0.7 OUTLIER -134.28 -69.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 111.033 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.508 ' ND2' ' N ' ' A' ' 436' ' ' SER . 0.8 OUTLIER 155.18 -41.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.508 ' N ' ' ND2' ' A' ' 435' ' ' ASN . 28.8 t -147.71 60.03 5.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.498 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.97 153.25 41.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 9.8 m-30 -103.25 149.69 24.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.463 ' CG1' ' O ' ' A' ' 480' ' ' ALA . 3.7 tt -132.46 118.09 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 480' ' ' ALA . 1.9 t-160 -92.93 121.8 34.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.572 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.604 ' CE1' HG11 ' A' ' 469' ' ' VAL . 7.2 p90 -124.65 151.24 45.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.529 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.4 ttt180 -152.2 121.29 3.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.97 18.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -52.21 104.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 104.95 6.46 39.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.123 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -110.21 -150.2 12.66 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.88 154.54 46.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.529 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 36.6 m95 -69.05 157.2 37.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' THR . . . . . 0.442 ' H ' ' CD2' ' A' ' 440' ' ' HIS . 1.4 m -77.6 -175.81 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -77.8 95.54 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.658 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.23 139.26 65.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.607 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.94 120.37 6.58 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.977 -2.509 . . . . 0.0 111.028 -0.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.658 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.79 -137.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 9.9 p -133.28 141.71 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.259 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.72 132.56 52.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.403 ' HE3' ' CD2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -76.93 127.88 33.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 466' ' ' LYS . 14.7 mm-40 -53.9 175.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.3 135.09 33.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.526 ' HB2' ' CB ' ' A' ' 464' ' ' TYR . . . -114.84 103.45 10.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.1 pt-20 -61.43 -14.11 25.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.531 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.1 mm -29.95 -48.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 156.88 43.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.16 48.16 2.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 431' ' ' LYS . 6.1 m-85 -129.99 173.6 10.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . . . . . . . . . . . -116.64 150.47 38.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.678 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 54.8 mtpt -130.08 146.13 51.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.254 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.48 128.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 2.5 m -123.99 123.89 41.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.604 HG11 ' CE1' ' A' ' 441' ' ' TYR . 5.6 t -134.63 137.68 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -85.55 146.33 26.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.602 ' O ' ' C ' ' A' ' 472' ' ' GLY . 7.7 pt -123.31 -0.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.649 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -17.51 114.08 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.5 t 99.15 -9.34 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 471' ' ' ILE . . . -114.27 135.09 54.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.53 -10.98 57.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -154.87 163.78 39.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.664 ' C ' ' CD1' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -142.73 141.12 31.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.537 ' N ' HD21 ' A' ' 477' ' ' LEU . 0.4 OUTLIER -96.63 147.56 23.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . 0.414 ' CB ' ' CE1' ' A' ' 498' ' ' PHE . . . -137.91 155.88 48.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . 0.514 ' CB ' ' OD1' ' A' ' 495' ' ' ASN . . . -145.06 148.71 33.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.581 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 4.9 t80 -110.27 145.45 37.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.571 ' OD1' ' CE3' ' A' ' 488' ' ' TRP . 0.4 OUTLIER -161.3 136.63 7.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.567 ' HB3' ' CE1' ' A' ' 434' ' ' PHE . 4.7 p-10 -75.3 -6.65 50.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.449 ' HA2' ' CD2' ' A' ' 438' ' ' TYR . . . 85.07 -12.55 57.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.05 -83.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.01 17.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . 0.405 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 11.2 m-80 -119.61 119.26 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . 0.571 ' CE3' ' OD1' ' A' ' 482' ' ' ASN . 9.8 m95 -112.6 176.51 4.99 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 481' ' ' PHE . 0.1 OUTLIER -149.92 108.76 3.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 492' ' ' ASN . 9.9 p -124.37 178.71 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.578 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 28.7 t30 -67.14 59.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.578 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 47.4 t30 89.41 -38.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 1.3 t 174.13 36.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.404 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.427 ' N ' ' OG ' ' A' ' 490' ' ' SER . 45.6 mttt -144.76 -78.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.514 ' OD1' ' CB ' ' A' ' 480' ' ' ALA . 0.6 OUTLIER 163.23 149.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 498' ' ' PHE . 71.0 m-85 -77.33 155.35 32.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' SER . . . . . 0.462 ' C ' ' CD1' ' A' ' 498' ' ' PHE . 17.2 t -125.91 138.23 53.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . 0.607 ' N ' ' CD1' ' A' ' 498' ' ' PHE . 0.5 OUTLIER -140.78 140.04 34.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.564 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -92.93 147.29 22.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.988 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.564 ' C ' ' O ' ' A' ' 499' ' ' SER . 32.2 p -25.21 136.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 130.02 -147.47 18.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' THR . . . . . 0.451 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 7.4 m -129.61 138.32 51.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 0.775 . . . . 0.0 110.39 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 59.7 p -135.32 149.6 49.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.058 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' THR . . . . . 0.401 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 5.2 m -108.42 138.91 43.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -118.63 124.29 47.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.51 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 1.6 m -132.79 148.42 69.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . 0.51 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.3 Cg_endo -75.03 144.65 30.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.506 ' O ' ' ND2' ' A' ' 509' ' ' ASN . . . -105.26 -137.66 9.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 508' ' ' GLY . 0.4 OUTLIER 155.58 169.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' A' ' 511' ' ' GLY . 96.3 p 56.47 -96.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . 0.498 ' N ' ' OG ' ' A' ' 510' ' ' SER . . . -102.56 -8.68 42.74 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -105.12 161.96 13.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.368 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -171.04 102.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 71.17 91.22 0.09 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.444 1.09 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 506' ' ' THR . 0.8 OUTLIER -94.15 141.97 27.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.421 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . 0.513 ' CD1' ' CD1' ' A' ' 496' ' ' TYR . 2.7 mt -122.36 139.36 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' THR . . . . . 0.401 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.0 OUTLIER -129.66 161.57 30.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.415 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 12.4 m -105.82 93.63 4.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 124.0 133.99 4.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.495 ' HB3' ' CE2' ' A' ' 429' ' ' TYR . . . -58.73 156.31 25.25 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.29 36.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.519 1.8 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -108.91 54.4 0.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 111.026 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 158.06 -146.39 13.28 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 2.9 m -54.24 127.97 29.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 110.395 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . 0.418 ' HA3' ' CA ' ' A' ' 472' ' ' GLY . . . -119.53 -90.56 1.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.515 ' CG ' HG22 ' A' ' 500' ' ' THR . 15.5 m-80 -115.26 162.93 16.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.35 144.81 51.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 471' ' ' ILE . 14.0 t -128.78 124.98 62.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.649 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 97.8 m -115.24 135.47 54.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.2 mp -133.22 123.27 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.649 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.9 m-30 -114.17 111.29 21.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.597 ' CE1' ' O ' ' A' ' 431' ' ' LYS . 1.3 t80 -107.79 140.64 40.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.597 ' O ' ' CE1' ' A' ' 430' ' ' TYR . 12.4 tmtt? -63.9 140.96 58.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.9 ttmm -78.7 107.48 11.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -122.91 9.61 9.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.645 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 14.2 m-85 -138.87 -59.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.645 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.3 t-20 143.98 -56.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.487 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 3.2 m -135.33 60.35 38.08 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.487 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.1 Cg_endo -75.03 151.2 39.11 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.585 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 7.6 m-85 -102.48 152.42 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.175 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.51 ' CG2' HG12 ' A' ' 467' ' ' ILE . 0.0 OUTLIER -133.96 124.41 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.672 ' CD2' ' OG1' ' A' ' 449' ' ' THR . 1.9 t-160 -92.87 140.84 29.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.603 ' CE1' HG22 ' A' ' 449' ' ' THR . 10.2 p90 -144.56 151.69 39.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.593 ' HB3' ' CZ3' ' A' ' 448' ' ' TRP . 1.0 OUTLIER -157.3 123.96 2.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.76 15.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -52.08 105.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 109.69 -0.61 30.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -102.74 -139.68 10.58 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.94 155.26 47.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.593 ' CZ3' ' HB3' ' A' ' 442' ' ' ARG . 49.0 m95 -68.56 157.28 36.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 108.044 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' THR . . . . . 0.672 ' OG1' ' CD2' ' A' ' 440' ' ' HIS . 0.6 OUTLIER -89.28 159.55 17.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -59.6 94.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.451 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -55.53 128.0 67.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.605 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.93 138.33 55.45 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.043 -2.482 . . . . 0.0 111.016 -0.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.605 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -35.9 -103.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 13.0 p -130.83 152.46 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.751 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -78.06 120.0 22.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.578 ' HE1' ' CD2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -52.75 117.55 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.053 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -52.64 174.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.62 135.65 35.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.603 ' HB1' ' CB ' ' A' ' 464' ' ' TYR . . . -113.96 104.92 12.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.3 pt-20 -60.36 -14.27 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.554 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.8 mm -31.14 -47.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.9 OUTLIER 155.22 44.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.17 47.09 2.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.603 ' CB ' ' HB1' ' A' ' 459' ' ' ALA . 3.5 m-85 -127.71 -176.98 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.754 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -127.11 147.17 50.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.632 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 47.2 mtpt -127.04 148.61 50.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . 0.51 HG12 ' CG2' ' A' ' 439' ' ' ILE . 3.3 tp -150.3 133.0 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 2.5 m -126.4 123.41 37.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.599 HG13 ' CE1' ' A' ' 441' ' ' TYR . 3.4 t -131.85 134.82 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -85.17 146.05 27.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.598 ' O ' ' N ' ' A' ' 473' ' ' SER . 10.9 pt -132.12 23.65 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.658 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -48.53 83.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.658 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.9 m 146.13 -14.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . . . . . . . . . . . -124.22 132.57 53.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -7.58 53.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . 0.433 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 5.1 mt-30 -152.73 161.47 42.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.481 ' HB2' ' CG2' ' A' ' 471' ' ' ILE . 0.2 OUTLIER -137.23 131.65 32.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 1.3 tt0 -101.24 125.4 47.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 440' ' ' HIS . . . -135.08 161.89 34.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -132.84 166.37 22.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 482' ' ' ASN . 5.2 t80 -111.32 141.55 44.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.518 ' HB3' ' CD2' ' A' ' 488' ' ' TRP . 0.4 OUTLIER -160.43 141.95 12.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.559 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 7.2 p-10 -75.25 -22.72 57.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.585 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 106.04 -16.93 42.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.03 -84.51 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -155.63 18.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . 0.404 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 35.1 m-80 -117.82 120.01 36.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . 0.518 ' CD2' ' HB3' ' A' ' 482' ' ' ASN . 34.2 m95 -116.6 177.67 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 481' ' ' PHE . 0.1 OUTLIER -156.79 109.86 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.502 ' CB ' ' HA ' ' A' ' 495' ' ' ASN . 2.7 p -132.66 176.49 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 46.5 t30 -38.56 -28.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.8 m-20 158.27 -22.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.427 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 1.7 t 178.19 27.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.382 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.468 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 13.0 mtpt -142.67 -73.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.502 ' HA ' ' CB ' ' A' ' 490' ' ' SER . 3.9 p30 158.42 -175.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . 0.504 ' CB ' ' CZ ' ' A' ' 498' ' ' PHE . 28.5 m-85 -110.36 153.39 25.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.4 t -122.1 136.11 54.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . 0.504 ' CZ ' ' CB ' ' A' ' 496' ' ' TYR . 3.2 m-85 -138.74 142.28 38.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.508 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -94.0 148.77 21.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.515 HG22 ' CG ' ' A' ' 424' ' ' ASN . 31.7 p -30.2 143.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.15 -144.31 15.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.436 1.085 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' THR . . . . . 0.429 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 3.8 m -130.14 137.91 50.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 110.412 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.69 148.56 52.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 7.5 m -115.12 138.34 51.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.437 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . 0.515 ' CD2' HG12 ' A' ' 516' ' ' ILE . 18.0 t80 -122.63 121.3 36.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 2.9 m -124.28 135.29 26.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.51 29.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.576 ' HA3' ' HB3' ' A' ' 512' ' ' ASN . . . -91.66 -59.82 1.32 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . 0.537 ' N ' ' HB3' ' A' ' 512' ' ' ASN . 1.2 m120 152.44 -175.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 0.777 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.32 -85.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.018 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -57.29 -28.66 59.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . 0.576 ' HB3' ' HA3' ' A' ' 508' ' ' GLY . 0.6 OUTLIER -73.22 165.81 24.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.257 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -113.11 -136.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -126.63 121.13 3.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.575 1.172 . . . . 0.0 111.035 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.69 138.4 31.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 110.414 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' A' ' 505' ' ' TYR . 4.0 mt -123.78 137.7 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.79 162.44 25.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.43 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 51.1 p -105.17 90.99 3.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 132.98 130.83 3.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.572 ' HB3' ' CE2' ' A' ' 429' ' ' TYR . . . -59.63 156.19 34.71 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 150.31 38.19 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -116.28 60.28 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 422' ' ' THR . . . 141.97 -45.97 0.91 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 421' ' ' GLY . 0.5 OUTLIER 60.16 142.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 110.369 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 172.76 -72.15 0.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.503 ' CG ' HG21 ' A' ' 500' ' ' THR . 3.3 m120 -127.06 156.74 41.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.71 142.46 50.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 13.0 t -126.55 121.58 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.65 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 92.6 m -111.34 131.73 54.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.76 122.81 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.65 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.5 m-30 -113.88 115.41 27.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.632 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 1.4 t80 -107.51 139.62 41.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.567 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.7 OUTLIER -63.33 140.41 58.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.4 ttmm -77.99 113.2 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.81 11.66 6.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.573 1.17 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.563 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 1.1 m-85 -143.05 -65.81 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 0.771 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.563 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 5.1 p30 151.06 -41.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.47 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 90.4 p -149.13 61.47 5.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.956 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.05 147.51 33.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.445 1.761 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.577 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 38.2 m-85 -98.17 151.92 19.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.52 ' CD1' ' C ' ' A' ' 439' ' ' ILE . 0.0 OUTLIER -131.03 119.24 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.839 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 49.8 t60 -93.48 117.18 29.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.563 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.656 ' CE1' ' CG1' ' A' ' 469' ' ' VAL . 6.3 p90 -131.92 152.46 51.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.596 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.5 ttp180 -150.27 127.07 5.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 132.74 15.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -55.0 98.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 117.62 -3.63 17.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -108.38 -145.78 11.76 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 448' ' ' TRP . 12.4 t -124.28 -179.01 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 110.002 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.839 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 69.4 m95 -91.48 169.99 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' THR . . . . . 0.548 ' CG2' ' CZ ' ' A' ' 441' ' ' TYR . 0.7 OUTLIER -91.11 177.05 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.489 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -73.71 94.2 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.61 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -54.01 132.14 58.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.638 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.03 121.26 7.25 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.004 0.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.638 ' C ' ' O ' ' A' ' 452' ' ' PRO . . . 10.42 -126.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.44 1.088 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 9.8 p -133.97 135.09 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . 0.462 ' HE3' ' CB ' ' A' ' 436' ' ' SER . 13.1 tttt -57.75 105.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.498 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -49.33 129.64 18.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -55.12 174.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.84 135.53 34.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.628 ' HB2' ' CB ' ' A' ' 464' ' ' TYR . . . -111.73 112.36 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.549 ' O ' ' C ' ' A' ' 461' ' ' ILE . 11.6 pt-20 -65.31 -20.38 66.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 462' ' ' SER . 0.9 OUTLIER -28.11 -46.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.0 OUTLIER 154.45 58.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 79.96 52.31 4.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.628 ' CB ' ' HB2' ' A' ' 459' ' ' ALA . 3.1 m-85 -130.05 -174.73 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.498 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -127.12 150.35 49.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.637 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 48.7 mtpt -130.47 147.13 52.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 456' ' ' MET . 3.2 tp -150.98 130.12 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.7 m -126.52 122.5 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.656 ' CG1' ' CE1' ' A' ' 441' ' ' TYR . 3.5 t -132.69 134.65 58.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -84.23 145.21 28.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 473' ' ' SER . 38.6 pt -123.86 -37.62 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.477 ' HA2' ' N ' ' A' ' 424' ' ' ASN . . . 36.17 -93.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -52.32 -14.45 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . 0.484 ' CB ' ' HB ' ' A' ' 471' ' ' ILE . . . -106.3 127.31 53.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.75 -10.47 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . 0.456 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 5.2 mt-30 -154.17 162.56 41.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 471' ' ' ILE . 0.2 OUTLIER -138.85 127.59 23.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 13.7 tt0 -103.65 126.95 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . 0.572 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -147.22 163.18 37.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . 0.498 ' CB ' ' OD1' ' A' ' 495' ' ' ASN . . . -134.77 169.33 17.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.632 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.0 OUTLIER -107.88 143.9 35.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.522 ' HB3' ' CD2' ' A' ' 488' ' ' TRP . 0.7 OUTLIER -160.03 135.93 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.486 ' HB3' ' CE1' ' A' ' 434' ' ' PHE . 11.6 p-10 -68.4 -13.1 62.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.577 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 91.61 -14.54 63.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.55 -84.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -153.35 16.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . 0.464 HD21 ' N ' ' A' ' 487' ' ' ASN . 2.0 m-80 -118.02 118.83 32.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . 0.522 ' CD2' ' HB3' ' A' ' 482' ' ' ASN . 24.9 m95 -119.54 175.69 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . 0.608 ' OD2' ' CD2' ' A' ' 481' ' ' PHE . 19.0 m-20 -156.18 103.71 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.499 ' CB ' ' HA ' ' A' ' 495' ' ' ASN . 1.6 p -131.47 175.81 8.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 62.8 t30 -38.51 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.5 m-80 159.37 -22.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 1.6 t 177.54 29.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.543 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 7.8 mtpt -146.33 -69.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.543 ' CB ' ' O ' ' A' ' 494' ' ' LYS . 2.5 m-20 152.37 169.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . 0.581 ' CD1' HD12 ' A' ' 516' ' ' ILE . 83.3 m-85 -96.1 151.5 19.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 12.0 t -107.75 135.65 48.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -128.08 147.84 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.518 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -108.73 148.76 29.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.518 ' C ' ' O ' ' A' ' 499' ' ' SER . 48.3 p -28.97 142.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 119.74 -146.75 18.07 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' THR . . . . . 0.473 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 4.3 m -128.77 136.24 50.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.786 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.11 148.24 51.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' THR . . . . . 0.408 ' OG1' ' HD3' ' A' ' 521' ' ' PRO . 4.9 m -107.62 138.67 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 481' ' ' PHE . 29.1 t80 -122.5 122.31 38.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.491 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.3 m -128.3 147.25 62.91 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 110.422 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . 0.491 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.3 Cg_endo -74.98 144.4 30.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.494 ' CA ' ' CB ' ' A' ' 512' ' ' ASN . . . -76.22 76.04 1.5 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.57 1.169 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.12 59.44 3.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 1.2 m 167.2 41.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 79.8 -4.68 64.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . 0.494 ' CB ' ' CA ' ' A' ' 508' ' ' GLY . 1.9 m-20 -62.96 160.32 15.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 514' ' ' GLY . . . -119.54 76.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 513' ' ' ALA . . . 52.83 106.73 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.89 137.99 31.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 0.735 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . 0.581 HD12 ' CD1' ' A' ' 496' ' ' TYR . 6.1 mt -123.62 138.3 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.0 162.07 29.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.375 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 58.1 m -105.07 92.38 4.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.27 129.28 3.13 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.587 ' HB3' ' CE2' ' A' ' 429' ' ' TYR . . . -59.94 153.37 55.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . 0.408 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.3 Cg_endo -74.97 150.12 37.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -106.79 54.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 46.63 83.95 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 13.8 t -163.85 149.82 11.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 0.772 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -171.62 81.74 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.475 ' CG ' HG23 ' A' ' 500' ' ' THR . 12.4 m-80 -91.34 163.22 14.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -129.02 154.29 46.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . 0.424 ' CG2' HD13 ' A' ' 471' ' ' ILE . 4.8 t -130.7 125.55 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.704 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 40.9 m -108.24 136.57 47.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -132.72 122.06 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.704 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.1 m-30 -114.51 110.58 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.619 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 16.4 t80 -106.59 140.24 39.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.568 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 13.0 tmtt? -62.83 141.66 58.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.7 ttmt -74.29 116.39 14.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.59 8.52 6.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.57 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 1.4 m-85 -143.4 -66.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 5.3 p30 150.89 -30.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.488 ' O ' ' CG ' ' A' ' 455' ' ' LYS . 94.1 p -163.99 59.98 0.81 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.485 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -74.97 150.89 38.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.618 ' CD2' ' HB2' ' A' ' 452' ' ' PRO . 49.6 m-85 -94.52 151.66 19.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.471 ' CD1' ' C ' ' A' ' 439' ' ' ILE . 0.0 OUTLIER -133.25 124.72 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.563 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 5.0 t60 -94.92 120.68 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.678 ' CE1' ' CG2' ' A' ' 449' ' ' THR . 5.3 p90 -122.78 152.66 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.536 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.2 ttt180 -155.84 123.71 2.84 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 134.6 18.08 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.33 102.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 109.46 1.73 31.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -106.43 -146.34 13.54 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.78 155.07 49.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 109.99 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.573 ' CH2' ' O ' ' A' ' 478' ' ' GLU . 38.7 m95 -70.24 156.31 39.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 107.994 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' THR . . . . . 0.678 ' CG2' ' CE1' ' A' ' 441' ' ' TYR . 2.5 p -76.58 -173.5 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.544 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -89.33 94.27 9.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.432 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -52.61 126.81 40.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.634 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.2 Cg_endo -75.01 144.06 79.76 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.018 -0.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.634 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -43.76 -113.21 0.0 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 9.7 p -130.57 143.4 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 436' ' ' SER . 0.0 OUTLIER -71.75 110.41 6.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.5 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 22.9 mtm -44.78 118.73 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 466' ' ' LYS . 1.9 mt-30 -49.23 175.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.87 133.99 34.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.598 ' HB1' ' CB ' ' A' ' 464' ' ' TYR . . . -112.7 105.31 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.51 ' O ' ' C ' ' A' ' 461' ' ' ILE . 12.9 pt-20 -59.76 -14.74 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.56 ' O ' ' CB ' ' A' ' 462' ' ' SER . 3.8 mm -30.61 -47.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 154.46 44.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.51 46.48 2.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.598 ' CB ' ' HB1' ' A' ' 459' ' ' ALA . 3.3 m-85 -125.95 -179.75 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.5 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -124.68 144.79 50.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.642 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 50.4 mtpt -124.08 146.31 48.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . 0.454 HG12 ' CG2' ' A' ' 439' ' ' ILE . 2.7 tp -150.88 133.32 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.4 m -125.42 124.62 41.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.605 HG11 ' CE1' ' A' ' 441' ' ' TYR . 4.0 t -131.2 135.64 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -85.03 147.1 26.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.617 ' O ' ' C ' ' A' ' 472' ' ' GLY . 27.8 pt -123.71 -1.16 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.646 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -12.96 111.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.646 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 3.4 t 99.3 -10.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 471' ' ' ILE . . . -119.62 140.06 51.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 476' ' ' GLN . 0.1 OUTLIER -89.61 -12.5 39.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 475' ' ' SER . 26.2 mt-30 -150.43 161.87 41.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.445 ' CB ' HG21 ' A' ' 471' ' ' ILE . 0.0 OUTLIER -141.31 136.57 31.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.573 ' O ' ' CH2' ' A' ' 448' ' ' TRP . 1.0 OUTLIER -102.17 127.5 49.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . 0.563 ' HA ' ' O ' ' A' ' 440' ' ' HIS . . . -142.16 164.84 29.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . 0.489 ' CB ' ' HB3' ' A' ' 490' ' ' SER . . . -139.16 165.68 26.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.619 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.6 t80 -109.72 143.7 39.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.584 ' HB3' ' CE3' ' A' ' 488' ' ' TRP . 2.8 p30 -162.95 136.46 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 25.5 p-10 -68.03 -15.72 63.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.575 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 94.08 -15.58 62.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.76 -84.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -153.13 16.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -118.12 119.34 34.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 482' ' ' ASN . 30.1 m95 -121.57 168.05 12.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.88 101.15 1.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.688 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -134.15 119.94 19.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.566 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 0.2 OUTLIER 31.03 41.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.566 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 3.8 t-20 87.25 -43.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.688 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.7 t 177.09 45.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.443 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.439 ' O ' ' ND2' ' A' ' 495' ' ' ASN . 17.6 mttm -146.67 -73.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.555 ' HB3' ' CG ' ' A' ' 478' ' ' GLU . 0.9 OUTLIER 160.72 144.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . 0.569 ' CE1' HD13 ' A' ' 516' ' ' ILE . 54.7 m-85 -93.21 157.21 16.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' SER . . . . . 0.473 ' CB ' ' OE2' ' A' ' 478' ' ' GLU . 0.0 OUTLIER -130.14 133.94 46.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -132.99 138.24 46.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.527 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -96.24 151.82 19.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.527 ' C ' ' O ' ' A' ' 499' ' ' SER . 32.6 p -27.65 138.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 124.89 -145.63 15.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 7.6 m -129.68 139.43 51.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 110.373 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.77 148.39 50.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 4.2 m -114.72 138.3 50.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 110.357 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -121.38 123.26 41.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.486 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 1.8 m -127.08 147.67 62.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.5 Cg_endo -74.97 144.62 30.56 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.549 1.815 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -90.37 -123.21 2.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 0.6 OUTLIER 157.45 80.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.26 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.52 -81.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -57.28 -22.0 42.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.456 1.098 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . 0.459 ' CB ' ' HA3' ' A' ' 508' ' ' GLY . 2.1 m-80 -117.86 160.62 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -149.19 91.9 1.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 47.98 98.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.09 137.93 32.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . 0.569 HD13 ' CE1' ' A' ' 496' ' ' TYR . 1.0 OUTLIER -123.37 138.08 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.48 161.95 26.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.414 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 17.6 p -105.74 91.81 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 133.03 132.99 3.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.133 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.484 ' HB1' ' CE2' ' A' ' 429' ' ' TYR . . . -59.18 156.61 27.01 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.773 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.51 35.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -117.27 58.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -61.21 -169.42 0.62 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 23.7 p -118.06 146.41 44.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.441 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -82.71 -102.51 0.47 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.44 ' HB3' HG21 ' A' ' 500' ' ' THR . 3.5 m-80 -97.81 158.66 15.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -129.97 148.98 51.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . 0.407 ' CG2' HD13 ' A' ' 471' ' ' ILE . 5.8 t -134.43 119.96 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.469 ' HB ' ' CG2' ' A' ' 502' ' ' THR . 0.2 OUTLIER -106.47 137.09 45.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . 0.497 ' HB ' ' CG2' ' A' ' 467' ' ' ILE . 2.8 mt -129.56 125.73 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.628 ' CE2' ' HD2' ' A' ' 466' ' ' LYS . 5.6 m-85 -114.64 109.41 18.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.627 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 10.9 t80 -107.67 138.35 44.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 140.68 58.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.5 ttmm -73.97 110.6 8.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -117.2 -15.12 6.72 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 483' ' ' ASP . 0.2 OUTLIER -120.44 -67.12 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.973 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.8 p30 151.79 -33.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.496 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 60.7 p -157.24 59.93 1.91 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.496 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.01 160.6 39.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.809 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 20.4 m-85 -107.25 146.42 31.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 480' ' ' ALA . 1.5 tp -130.0 119.21 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.491 ' NE2' ' O ' ' A' ' 449' ' ' THR . 1.9 t-160 -92.21 116.83 29.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.553 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.655 ' CD1' ' CG1' ' A' ' 469' ' ' VAL . 11.7 p90 -121.94 139.26 53.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.581 ' O ' ' CD ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -138.16 123.56 12.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 133.27 16.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -55.32 100.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 111.54 2.01 27.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -115.2 -157.76 11.6 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 3.7 m -110.87 168.45 9.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.028 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.562 ' CD2' ' HB2' ' A' ' 442' ' ' ARG . 52.3 m95 -89.91 154.2 20.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 108.031 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' THR . . . . . 0.491 ' O ' ' NE2' ' A' ' 440' ' ' HIS . 0.6 OUTLIER -68.27 -176.96 0.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.32 104.94 16.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.649 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -56.82 139.06 77.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.635 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.2 Cg_endo -74.98 120.74 6.85 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 120.994 -2.502 . . . . 0.0 111.003 -0.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.649 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 13.94 -127.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.42 ' CG1' ' CD1' ' A' ' 467' ' ' ILE . 0.3 OUTLIER -133.62 141.5 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . 0.456 ' O ' ' NE2' ' A' ' 457' ' ' GLN . 15.1 ttmt -60.32 115.41 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.481 ' HG3' ' CG2' ' A' ' 439' ' ' ILE . 5.9 mtt -66.51 121.67 15.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 455' ' ' LYS . 50.1 mm-40 -53.63 175.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.06 132.12 41.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.413 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -105.11 106.82 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 461' ' ' ILE . 15.9 pt-20 -56.08 -16.71 5.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.523 ' O ' ' CB ' ' A' ' 462' ' ' SER . 1.4 mt -32.32 -45.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 157.24 56.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 78.56 52.33 5.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.413 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 1.6 m-85 -122.64 -172.97 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 430' ' ' TYR . . . -128.48 142.75 50.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.628 ' HD2' ' CE2' ' A' ' 429' ' ' TYR . 0.6 OUTLIER -125.01 143.9 50.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.335 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . 0.497 ' CG2' ' HB ' ' A' ' 428' ' ' ILE . 3.4 tp -153.4 128.1 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 2.6 m -119.84 119.12 32.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.439 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.655 ' CG1' ' CD1' ' A' ' 441' ' ' TYR . 71.5 t -124.25 128.68 73.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -85.91 146.49 26.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.595 ' HB ' ' CB ' ' A' ' 474' ' ' ALA . 12.4 pt -118.23 -9.69 11.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 63.32 -89.03 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.56 -19.69 13.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.006 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . 0.595 ' CB ' ' HB ' ' A' ' 471' ' ' ILE . . . -49.1 121.02 4.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.34 -13.51 61.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 2.6 mt-30 -154.92 162.93 40.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.495 ' HB2' ' CG2' ' A' ' 471' ' ' ILE . 0.1 OUTLIER -143.53 144.65 32.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 1.4 mt-10 -96.16 148.42 22.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . 0.599 ' CB ' ' CE1' ' A' ' 498' ' ' PHE . . . -136.43 156.89 47.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . 0.491 ' O ' ' CD1' ' A' ' 439' ' ' ILE . . . -146.78 153.58 40.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.627 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 8.6 t80 -111.97 147.97 34.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.638 ' ND2' ' CE3' ' A' ' 488' ' ' TRP . 0.1 OUTLIER -155.4 153.04 29.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 0.0 109.261 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 434' ' ' PHE . 0.4 OUTLIER -133.97 58.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 136.36 -72.08 0.47 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . 0.502 ' O ' ' NE1' ' A' ' 488' ' ' TRP . 3.8 t-20 178.82 -66.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -65.74 -17.73 64.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 483' ' ' ASP . 0.2 OUTLIER -92.9 96.63 10.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . 0.638 ' CE3' ' ND2' ' A' ' 482' ' ' ASN . 80.0 m95 -103.68 164.72 11.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . 0.408 ' CB ' ' HB3' ' A' ' 481' ' ' PHE . 2.0 m-20 -162.74 76.55 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.626 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -129.26 121.35 27.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.985 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.582 ' HA ' ' CE1' ' A' ' 496' ' ' TYR . 0.1 OUTLIER 36.11 37.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.564 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 13.4 t30 87.87 -41.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.626 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.4 t 173.91 46.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 495' ' ' ASN . 15.2 mttm -146.91 -72.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.537 ' HA ' ' CB ' ' A' ' 490' ' ' SER . 10.6 p-10 158.58 140.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . 0.597 ' CD1' HD12 ' A' ' 516' ' ' ILE . 4.7 m-85 -90.7 162.52 14.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' SER . . . . . 0.403 ' C ' ' CD1' ' A' ' 498' ' ' PHE . 10.0 t -126.92 139.51 53.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.978 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . 0.599 ' CE1' ' CB ' ' A' ' 479' ' ' ALA . 5.7 m-85 -137.72 156.74 47.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.505 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -115.92 152.18 33.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.99 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.548 ' CG2' HD11 ' A' ' 471' ' ' ILE . 23.0 p -30.38 143.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 118.4 -148.44 18.48 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' THR . . . . . 0.473 HG21 ' CB ' ' A' ' 520' ' ' ALA . 35.4 m -125.43 139.81 53.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 0.777 . . . . 0.0 110.388 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.6 p -133.53 146.27 50.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 516' ' ' ILE . 1.4 m -107.8 139.73 41.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.391 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 481' ' ' PHE . 27.6 t80 -123.14 127.88 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.461 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 3.7 m -136.61 145.72 52.49 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.368 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.2 Cg_endo -75.02 146.27 32.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -108.72 -142.0 9.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 0.4 OUTLIER 155.8 150.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.784 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.04 -87.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -103.17 -20.07 11.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . 0.541 ' N ' HD21 ' A' ' 512' ' ' ASN . 1.4 m-80 -95.39 159.29 15.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -168.55 102.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 58.64 86.05 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.12 137.86 32.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 110.439 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . 0.597 HD12 ' CD1' ' A' ' 496' ' ' TYR . 5.8 mt -123.97 139.05 51.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' THR . . . . . 0.4 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.6 OUTLIER -127.7 162.61 26.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 3.2 m -105.93 93.16 4.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 138.34 129.89 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.473 ' CB ' HG21 ' A' ' 502' ' ' THR . . . -60.22 156.73 37.66 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . 0.491 ' HD2' ' CD2' ' A' ' 429' ' ' TYR . 18.3 Cg_endo -75.05 147.32 33.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -121.83 51.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.099 . . . . 0.0 111.049 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 152.13 -152.1 23.88 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 8.7 t -75.46 175.45 8.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 110.365 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -156.94 97.87 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 500' ' ' THR . 25.5 m120 -82.14 155.43 25.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 426' ' ' VAL . 0.0 OUTLIER -128.75 145.5 51.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . 0.485 HG22 ' CG2' ' A' ' 471' ' ' ILE . 12.9 t -127.77 127.73 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.718 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 38.0 m -114.74 134.42 55.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.415 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -133.0 123.09 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.718 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 18.2 m-30 -115.15 112.38 22.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.581 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 10.9 t80 -106.53 139.67 40.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.578 ' HD2' ' CE1' ' A' ' 464' ' ' TYR . 2.2 tttm -64.08 140.56 58.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 5.3 ttmt -73.84 109.76 7.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -125.63 13.22 7.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.6 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 7.5 m-85 -147.17 -61.57 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 6.3 p30 148.39 -55.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.495 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 5.8 m -138.67 60.21 18.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.02 147.89 34.46 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.577 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 48.8 m-85 -98.79 154.02 18.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.516 ' CD1' ' C ' ' A' ' 439' ' ' ILE . 0.0 OUTLIER -132.02 120.39 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.573 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 1.6 t60 -91.27 117.32 29.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.615 ' CE1' HG11 ' A' ' 469' ' ' VAL . 12.1 p90 -126.17 152.92 45.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.541 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.4 ttt180 -153.82 124.76 3.53 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 134.09 17.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.802 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.33 102.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 105.92 5.42 38.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -109.2 -149.22 13.12 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.81 160.43 29.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.57 ' HB3' ' CE1' ' A' ' 440' ' ' HIS . 55.6 m95 -74.55 157.49 35.39 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' THR . . . . . 0.587 ' CG2' ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -79.17 -172.9 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.418 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -83.81 95.29 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.668 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -56.09 138.25 73.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.609 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.99 119.04 5.69 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.025 0.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.668 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.62 -131.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 5.3 p -131.35 134.35 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -58.1 106.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.472 ' CE ' ' HB ' ' A' ' 439' ' ' ILE . 17.4 mtt -49.77 126.28 13.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -54.82 173.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.57 131.75 34.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.59 ' HB2' ' CB ' ' A' ' 464' ' ' TYR . . . -109.36 103.41 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 461' ' ' ILE . 14.9 pt-20 -58.41 -15.54 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.568 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -29.33 -47.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.9 OUTLIER 153.95 44.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.96 48.07 2.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.59 ' CB ' ' HB2' ' A' ' 459' ' ' ALA . 3.7 m-85 -128.64 179.27 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -124.17 145.78 49.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.631 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 50.9 mtpt -126.15 145.88 50.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . 0.468 HG12 ' CG2' ' A' ' 439' ' ' ILE . 2.4 tp -151.46 129.48 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 2.4 m -122.4 124.17 43.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.615 HG11 ' CE1' ' A' ' 441' ' ' TYR . 27.0 t -128.3 132.98 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . 0.406 ' CA ' ' HE3' ' A' ' 425' ' ' LYS . 8.2 t70 -84.23 145.51 28.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.618 ' O ' ' N ' ' A' ' 473' ' ' SER . 13.7 pt -131.15 28.13 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.644 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -52.0 78.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.5 m 147.38 -12.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . . . . . . . . . . . -123.04 138.29 54.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.82 -6.81 59.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . 0.409 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 2.9 mt-30 -153.54 162.23 41.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.482 ' HB2' ' CG2' ' A' ' 471' ' ' ILE . 0.8 OUTLIER -137.75 128.4 26.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.567 ' OE2' ' N ' ' A' ' 479' ' ' ALA . 4.5 tp10 -102.32 129.3 48.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' A' ' 440' ' ' HIS . . . -147.65 164.18 34.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . 0.485 ' CB ' ' HB3' ' A' ' 490' ' ' SER . . . -137.43 169.65 17.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.581 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.5 t80 -109.0 143.25 38.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.471 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 2.7 p30 -162.04 136.28 6.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 434' ' ' PHE . 28.8 p-10 -68.27 -12.23 60.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.577 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 86.51 -14.78 54.16 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -83.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.81 16.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . 0.409 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 48.6 m-80 -119.8 117.59 28.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -114.19 165.71 12.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.044 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . 0.484 ' HB2' ' CD2' ' A' ' 481' ' ' PHE . 0.3 OUTLIER -155.87 97.95 1.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.693 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -134.28 118.81 17.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.579 ' HA ' ' CE1' ' A' ' 496' ' ' TYR . 9.0 t-20 32.13 38.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 29.8 t30 85.93 -40.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.693 ' N ' ' O ' ' A' ' 490' ' ' SER . 2.4 t 178.33 43.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.63 ' O ' ' HB3' ' A' ' 495' ' ' ASN . 31.5 mttt -145.06 -79.93 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.63 ' HB3' ' O ' ' A' ' 494' ' ' LYS . 47.3 p-10 164.06 155.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . 0.585 ' CD1' HD11 ' A' ' 516' ' ' ILE . 33.0 m-85 -107.66 145.39 33.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 3.9 t -118.72 145.39 45.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -142.48 139.22 31.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -96.42 151.34 19.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.992 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.538 ' C ' ' O ' ' A' ' 499' ' ' SER . 34.5 p -26.83 138.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.25 -147.74 16.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' THR . . . . . 0.469 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 6.7 m -130.43 137.94 50.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.386 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.8 p -134.15 148.03 50.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 3.3 m -110.09 139.12 45.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -122.1 127.08 49.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.489 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 2.4 m -133.11 147.34 64.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.415 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . 0.489 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.3 Cg_endo -75.01 145.42 31.39 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . 0.608 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -104.54 -105.63 3.03 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . 0.608 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 3.2 t-20 91.31 138.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 509' ' ' ASN . 0.3 OUTLIER 89.52 -75.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.047 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -119.72 -23.63 3.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . 0.642 ' ND2' ' H ' ' A' ' 512' ' ' ASN . 0.1 OUTLIER -108.45 164.04 12.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -156.46 95.01 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 65.26 90.26 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.79 139.21 31.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 110.415 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . 0.585 HD11 ' CD1' ' A' ' 496' ' ' TYR . 2.3 mt -123.67 138.87 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.39 162.29 27.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 2.7 m -106.28 92.81 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 127.75 133.35 3.73 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.467 ' HB3' ' CE2' ' A' ' 429' ' ' TYR . . . -59.06 156.35 27.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 148.61 35.32 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.432 1.754 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -113.41 57.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -101.73 -38.95 3.06 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 3.4 m -76.62 152.88 35.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.397 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' GLY . . . . . 0.451 ' HA2' ' CA ' ' A' ' 472' ' ' GLY . . . -148.73 67.01 0.38 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' ASN . . . . . 0.539 ' HB3' ' CG2' ' A' ' 500' ' ' THR . 35.4 m120 -66.6 158.92 28.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.412 ' CD ' HG21 ' A' ' 468' ' ' THR . 2.4 tppt? -129.22 144.31 51.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . 0.442 ' CG2' HD12 ' A' ' 471' ' ' ILE . 9.2 t -126.18 125.67 68.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' THR . . . . . 0.665 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 60.3 m -113.76 136.76 52.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.2 mp -132.77 122.78 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' TYR . . . . . 0.665 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.4 m-30 -114.1 110.82 20.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' TYR . . . . . 0.537 ' CD2' ' HE3' ' A' ' 456' ' ' MET . 6.0 t80 -106.65 139.76 40.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.534 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.3 OUTLIER -64.47 142.05 58.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 4.2 ttmt -77.79 108.09 10.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -122.47 8.17 9.58 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' PHE . . . . . 0.596 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 13.9 m-85 -140.13 -61.92 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.783 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' ASN . . . . . 0.596 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 10.5 m-20 148.39 -60.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.358 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' SER . . . . . 0.458 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 86.0 p -132.82 61.85 58.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.97 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.05 156.78 42.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.549 1.815 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.446 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 19.9 m-85 -105.42 150.6 25.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.993 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.469 ' CG1' ' O ' ' A' ' 480' ' ' ALA . 2.2 tt -133.27 123.09 46.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . 0.615 ' CD2' ' OG1' ' A' ' 449' ' ' THR . 0.7 OUTLIER -95.39 126.68 40.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.602 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' TYR . . . . . 0.573 ' CE1' HG13 ' A' ' 469' ' ' VAL . 9.5 p90 -127.22 152.06 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.505 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 0.3 OUTLIER -156.37 125.11 2.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.4 Cg_endo -74.99 133.81 17.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.561 1.822 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -50.54 108.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 105.62 0.44 39.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.098 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -105.89 -137.83 8.98 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.3 154.8 40.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 109.984 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' TRP . . . . . 0.505 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 98.4 m95 -67.77 157.86 33.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 107.984 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' THR . . . . . 0.615 ' OG1' ' CD2' ' A' ' 440' ' ' HIS . 2.1 p -81.84 -177.21 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -74.1 96.27 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ALA . . . . . 0.464 ' HA ' ' HA ' ' A' ' 452' ' ' PRO . . . -54.1 126.03 51.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.607 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.02 135.71 41.8 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.982 -2.508 . . . . 0.0 110.994 0.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -34.93 -103.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.493 ' CG1' ' CD1' ' A' ' 467' ' ' ILE . 2.6 p -131.56 147.7 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.787 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -75.26 120.21 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' MET . . . . . 0.537 ' HE3' ' CD2' ' A' ' 430' ' ' TYR . 0.2 OUTLIER -51.5 121.28 6.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 466' ' ' LYS . 1.0 OUTLIER -55.2 174.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.74 135.65 33.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' ALA . . . . . 0.554 ' HB1' ' CB ' ' A' ' 464' ' ' TYR . . . -115.54 102.37 9.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.55 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.0 pt-20 -58.19 -15.39 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' ILE . . . . . 0.562 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.5 mm -28.77 -47.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.5 m 154.92 44.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.54 47.39 2.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.554 ' CB ' ' HB1' ' A' ' 459' ' ' ALA . 4.2 m-85 -128.19 178.88 5.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 456' ' ' MET . . . -123.11 147.15 47.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.645 ' HG2' ' CD1' ' A' ' 429' ' ' TYR . 51.4 mtpt -128.79 144.34 51.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' ILE . . . . . 0.493 ' CD1' ' CG1' ' A' ' 454' ' ' VAL . 0.1 OUTLIER -151.76 128.99 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' THR . . . . . 0.412 HG21 ' CD ' ' A' ' 425' ' ' LYS . 2.5 m -125.03 128.19 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.573 HG13 ' CE1' ' A' ' 441' ' ' TYR . 2.2 t -133.33 135.59 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -84.57 146.12 27.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.667 ' O ' ' C ' ' A' ' 472' ' ' GLY . 14.8 pt -119.31 -9.3 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.667 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . -3.03 108.18 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 4.7 t 100.8 -11.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 471' ' ' ILE . . . -113.87 136.16 53.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.74 -10.54 53.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -154.7 161.24 41.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.554 ' CD2' ' C ' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -142.62 142.68 32.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 0.1 OUTLIER -99.04 132.63 44.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 440' ' ' HIS . . . -123.65 161.21 25.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -147.31 156.73 43.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' PHE . . . . . 0.5 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 9.3 t80 -110.34 149.08 30.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' ASN . . . . . 0.453 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.0 OUTLIER -157.63 157.84 34.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.5 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 0.6 OUTLIER -131.71 55.85 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 137.23 -70.74 0.48 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' ASN . . . . . 0.507 ' O ' ' NE1' ' A' ' 488' ' ' TRP . 3.5 t-20 179.17 -68.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -61.71 -21.73 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 487' ' ' ASN . . . . . 0.489 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 0.1 OUTLIER -90.61 97.36 11.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 488' ' ' TRP . . . . . 0.507 ' NE1' ' O ' ' A' ' 485' ' ' ASN . 55.8 m95 -102.57 164.19 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 107.974 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 481' ' ' PHE . 1.3 m-20 -162.58 77.52 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.639 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -129.38 122.06 28.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.574 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 2.5 t-20 34.5 36.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 492' ' ' ASN . . . . . 0.574 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 10.6 t-20 87.63 -41.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.639 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.6 t 175.49 38.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.425 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' LYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 495' ' ' ASN . 2.8 mtpt -134.54 -74.41 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' ASN . . . . . 0.549 ' HA ' ' CB ' ' A' ' 490' ' ' SER . 12.2 p-10 154.18 147.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' TYR . . . . . 0.575 ' CD1' HD12 ' A' ' 516' ' ' ILE . 23.6 m-85 -95.33 155.6 16.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 0.0 OUTLIER -129.07 133.23 47.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.031 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 496' ' ' TYR . 10.5 m-85 -135.89 151.86 50.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' SER . . . . . 0.542 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.1 OUTLIER -104.92 150.91 24.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' THR . . . . . 0.542 ' C ' ' O ' ' A' ' 499' ' ' SER . 39.8 p -26.87 138.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.6 -147.62 16.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' THR . . . . . 0.467 ' CG2' ' HB ' ' A' ' 427' ' ' THR . 5.3 m -127.9 138.78 52.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 110.429 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.32 148.38 52.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.99 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 2.8 m -110.92 138.43 47.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.386 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 481' ' ' PHE . 28.8 t80 -120.75 126.96 51.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.488 ' CG2' ' HD2' ' A' ' 507' ' ' PRO . 3.7 m -133.47 146.41 60.51 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.418 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 506' ' ' THR . 18.3 Cg_endo -75.02 145.27 31.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.543 1.812 . . . . 0.0 111.051 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -92.18 -130.44 5.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 164.62 83.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.26 -83.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -54.09 -25.05 30.49 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.547 1.155 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -116.81 162.15 18.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -150.11 92.06 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 50.81 98.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.02 138.29 31.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' ILE . . . . . 0.575 HD12 ' CD1' ' A' ' 496' ' ' TYR . 2.9 mt -124.06 138.8 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.72 162.3 27.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 56.8 p -105.98 93.0 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.49 131.11 3.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' ALA . . . . . 0.578 ' HB3' ' CE2' ' A' ' 429' ' ' TYR . . . -58.89 155.99 28.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 151.05 38.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -106.26 53.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.571 1.169 . . . . 0.0 110.992 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.514 ' CG ' HG21 ' A' ' 500' ' ' THR . 5.4 m-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.42 147.38 51.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.866 HG22 ' HA ' ' A' ' 500' ' ' THR . 27.8 t -131.47 122.57 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 427' ' ' THR . . . . . 0.918 ' HB ' HG23 ' A' ' 502' ' ' THR . 32.2 m -108.86 135.42 50.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.372 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 428' ' ' ILE . . . . . 0.473 HG22 ' CE ' ' A' ' 456' ' ' MET . 1.5 mt -131.93 123.46 51.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.708 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.3 m-30 -113.58 111.75 22.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.602 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 3.2 t80 -106.21 138.98 41.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -64.74 140.26 58.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 1.6 ttmm -77.83 104.22 8.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -114.96 -3.96 21.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.571 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 0.8 OUTLIER -128.95 -63.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 111.015 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.8 p30 150.57 -48.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.464 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 11.1 p -140.47 61.39 16.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.2 Cg_endo -74.98 148.3 35.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.58 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 11.7 m-30 -100.55 151.01 22.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.579 HG21 ' HG2' ' A' ' 456' ' ' MET . 0.0 OUTLIER -131.49 119.28 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.812 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 1.6 t-160 -96.42 119.69 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.583 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.865 ' CD1' HG11 ' A' ' 469' ' ' VAL . 7.6 p90 -123.78 150.99 43.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.651 ' C ' HD12 ' A' ' 477' ' ' LEU . 2.7 ttt180 -147.1 122.9 5.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 443' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.1 Cg_endo -75.0 132.81 15.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 444' ' ' ALA . . . . . 0.505 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -51.76 105.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 102.52 7.77 44.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -114.07 -154.88 11.24 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.06 157.21 30.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.523 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 43.5 m95 -70.04 160.5 31.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.035 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 449' ' ' THR . . . . . 0.427 ' N ' ' HE2' ' A' ' 440' ' ' HIS . 0.2 OUTLIER -78.05 -179.92 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.373 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -74.04 94.16 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.812 ' HB2' ' HE1' ' A' ' 440' ' ' HIS . . . -55.46 139.5 67.0 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.0 119.98 6.34 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.018 0.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.655 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 18.33 -135.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.59 HG11 ' HE2' ' A' ' 441' ' ' TYR . 9.9 p -133.62 141.56 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.48 121.2 12.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' MET . . . . . 0.981 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -67.91 128.64 37.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.3 174.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.25 135.8 33.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.846 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -112.81 103.48 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.541 ' O ' ' C ' ' A' ' 461' ' ' ILE . 26.3 pt-20 -58.66 -15.51 12.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.549 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -29.12 -48.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.2 m 155.65 45.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.74 46.27 2.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.138 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.838 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.8 m-85 -127.42 -178.36 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.981 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -125.43 150.61 47.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.846 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 48.7 mtpt -128.98 148.3 50.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 0.906 HD13 ' HA ' ' A' ' 456' ' ' MET . 5.0 tp -150.27 132.15 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 468' ' ' THR . . . . . 0.508 HG23 ' OG1' ' A' ' 427' ' ' THR . 1.4 m -124.5 120.94 33.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.865 HG11 ' CD1' ' A' ' 441' ' ' TYR . 15.8 t -129.53 134.55 63.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -89.15 144.74 25.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.884 HD11 ' CG2' ' A' ' 500' ' ' THR . 10.4 pt -129.38 25.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.646 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -49.5 80.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.646 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.2 m 147.3 -14.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -122.17 136.82 54.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -8.33 58.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -154.6 161.95 41.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.651 HD23 HG11 ' A' ' 426' ' ' VAL . 0.2 OUTLIER -141.95 142.65 33.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 20.6 mt-10 -97.69 148.87 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.664 ' HB3' ' HE2' ' A' ' 498' ' ' PHE . . . -134.67 158.58 43.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 480' ' ' ALA . . . . . 0.505 ' O ' HG12 ' A' ' 439' ' ' ILE . . . -146.36 146.74 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.602 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 4.1 t80 -108.38 142.09 39.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.431 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.5 OUTLIER -161.15 135.3 6.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.521 ' HB3' ' CE1' ' A' ' 434' ' ' PHE . 9.6 p-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 495' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 0.816 ' CD1' HD11 ' A' ' 516' ' ' ILE . 48.5 m-85 -82.42 158.74 23.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 497' ' ' SER . . . . . 0.537 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 12.0 t -130.67 134.99 47.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 498' ' ' PHE . . . . . 1.042 ' CE1' HG21 ' A' ' 516' ' ' ILE . 13.9 m-85 -141.51 152.84 44.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.502 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -102.54 149.17 24.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.979 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.884 ' CG2' HD11 ' A' ' 471' ' ' ILE . 35.1 p -30.57 145.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.404 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 127.51 -144.05 14.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.918 HG23 ' HB ' ' A' ' 427' ' ' THR . 1.3 m -129.39 134.21 47.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 110.411 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 428' ' ' ILE . 0.1 OUTLIER -133.96 149.28 51.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.447 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 3.2 m -113.23 138.79 49.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 505' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 481' ' ' PHE . 34.3 t80 -118.57 123.06 44.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.776 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.2 m -127.82 146.82 60.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 507' ' ' PRO . . . . . 0.776 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.545 1.813 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.66 139.23 31.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 110.399 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 1.042 HG21 ' CE1' ' A' ' 498' ' ' PHE . 3.9 mt -122.71 138.04 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 517' ' ' THR . . . . . 0.447 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.2 OUTLIER -127.14 161.71 27.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 12.5 m -106.53 91.56 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 126.85 134.02 3.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.492 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -58.53 156.0 25.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 521' ' ' PRO . . . . . 0.4 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.124 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.522 ' HB3' HG22 ' A' ' 500' ' ' THR . 8.1 m-80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -129.03 154.06 47.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.256 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.482 HG21 HD13 ' A' ' 471' ' ' ILE . 13.4 t -132.87 124.14 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 427' ' ' THR . . . . . 0.912 ' HB ' HG23 ' A' ' 502' ' ' THR . 41.0 m -107.77 136.2 47.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 428' ' ' ILE . . . . . 0.603 HG21 HD11 ' A' ' 439' ' ' ILE . 1.4 mt -132.69 121.79 45.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.719 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 17.2 m-30 -115.25 110.44 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 111.057 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.601 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 19.2 t80 -105.81 138.77 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.598 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.4 OUTLIER -64.53 140.73 58.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.8 ttmm -74.6 110.11 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -126.4 12.56 7.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.644 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 10.6 m-85 -147.18 -57.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 111.047 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.644 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.6 t30 143.81 -58.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.496 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -133.77 60.09 43.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.496 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.2 Cg_endo -74.99 151.23 39.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.457 ' O ' ' ND2' ' A' ' 482' ' ' ASN . 21.7 m-85 -102.29 152.81 20.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.603 HD11 HG21 ' A' ' 428' ' ' ILE . 4.7 tt -132.09 120.21 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.559 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 7.2 t-160 -92.44 118.48 31.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.591 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.784 ' CD2' HG21 ' A' ' 469' ' ' VAL . 6.0 p90 -128.22 152.67 47.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.523 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.9 ttt180 -151.77 124.04 3.97 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 443' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.4 Cg_endo -75.04 134.84 18.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 444' ' ' ALA . . . . . 0.662 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -53.29 104.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 101.07 9.68 44.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -111.95 -152.39 11.92 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.58 153.75 40.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.523 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 39.1 m95 -68.72 158.73 33.62 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 449' ' ' THR . . . . . 0.642 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -80.05 -174.99 4.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -82.46 95.21 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.652 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.77 138.45 70.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.617 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.2 Cg_endo -75.03 119.66 6.12 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.011 -2.496 . . . . 0.0 110.964 0.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.652 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.94 -131.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.401 HG13 HD11 ' A' ' 467' ' ' ILE . 3.2 p -132.62 141.25 45.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.08 113.83 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 456' ' ' MET . . . . . 0.83 ' HA ' HD13 ' A' ' 467' ' ' ILE . 0.0 OUTLIER -56.15 120.8 8.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 457' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 466' ' ' LYS . 1.2 mt-30 -50.8 175.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.37 133.47 34.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.85 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -114.35 103.08 10.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 461' ' ' ILE . 26.3 pt-20 -59.33 -14.91 13.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.553 ' O ' ' CB ' ' A' ' 462' ' ' SER . 3.7 mm -29.46 -47.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.3 m 154.79 43.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.14 47.99 2.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.85 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 4.3 m-85 -129.27 178.39 6.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.828 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -123.18 145.02 48.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.793 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 48.8 mtpt -124.54 146.37 49.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 0.83 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.8 tp -151.2 129.68 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.3 m -118.42 121.51 40.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.784 HG21 ' CD2' ' A' ' 441' ' ' TYR . 82.7 t -124.65 130.34 73.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.02 144.9 28.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.912 HD11 ' CG2' ' A' ' 500' ' ' THR . 17.3 pt -129.59 26.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.63 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -49.64 80.84 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.63 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.3 m 148.31 -17.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 0.662 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -127.86 141.57 51.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 4.8 m -90.16 3.82 52.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -155.81 149.44 25.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.532 HD11 ' HB2' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -135.27 135.32 40.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 1.9 tt0 -106.29 128.68 54.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -147.25 162.99 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 480' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -136.52 168.71 18.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.601 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.4 t80 -108.98 144.53 36.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.509 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 1.8 p30 -161.72 136.58 7.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 434' ' ' PHE . 27.1 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 495' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 495' ' ' ASN . 3.7 p30 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 0.827 ' CE1' HD11 ' A' ' 516' ' ' ILE . 63.6 m-85 -97.78 158.3 15.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.2 t -125.81 139.15 53.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.985 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 498' ' ' PHE . . . . . 0.568 ' HE1' ' HB3' ' A' ' 479' ' ' ALA . 0.3 OUTLIER -138.28 136.29 36.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.547 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -92.57 148.95 21.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.912 ' CG2' HD11 ' A' ' 471' ' ' ILE . 22.6 p -26.35 137.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 128.34 -145.69 16.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.912 HG23 ' HB ' ' A' ' 427' ' ' THR . 7.4 m -129.09 137.9 51.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.426 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 3.6 p -133.26 148.91 51.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.436 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 14.0 m -112.4 138.06 49.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.382 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 505' ' ' TYR . . . . . 0.437 ' HH ' ' HE2' ' A' ' 496' ' ' TYR . 2.8 t80 -119.46 122.95 42.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.808 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.0 m -130.12 147.71 66.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 507' ' ' PRO . . . . . 0.808 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.73 139.55 37.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 0.827 HD11 ' CE1' ' A' ' 496' ' ' TYR . 1.0 OUTLIER -122.77 138.43 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 517' ' ' THR . . . . . 0.436 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.5 OUTLIER -128.14 161.99 27.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 23.7 m -104.67 93.08 4.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 127.66 131.14 3.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.412 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.68 156.09 35.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 521' ' ' PRO . . . . . 0.406 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.716 ' OD1' HG21 ' A' ' 500' ' ' THR . 3.5 m-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.13 138.57 49.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.634 HG11 HD23 ' A' ' 477' ' ' LEU . 6.3 t -127.89 117.98 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 427' ' ' THR . . . . . 0.888 ' HB ' HG23 ' A' ' 502' ' ' THR . 45.4 m -105.96 136.6 45.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 428' ' ' ILE . . . . . 0.452 HG21 HD11 ' A' ' 439' ' ' ILE . 1.2 mp -133.72 121.79 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.694 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.3 m-30 -113.55 110.03 19.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.628 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.1 t80 -107.89 140.13 41.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.587 ' CG ' ' CZ ' ' A' ' 464' ' ' TYR . 3.0 mttp -63.38 139.63 58.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 1.9 ttmt -76.5 107.67 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -117.34 4.2 18.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.593 ' O ' ' ND2' ' A' ' 435' ' ' ASN . 3.5 m-85 -138.72 -66.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.593 ' ND2' ' O ' ' A' ' 434' ' ' PHE . 3.1 p30 153.2 -48.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.498 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 37.5 p -142.14 60.0 10.0 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.498 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.98 148.59 35.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 452' ' ' PRO . 88.6 m-85 -94.63 156.36 16.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.529 HG21 HG21 ' A' ' 467' ' ' ILE . 1.9 tt -135.03 121.79 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.649 ' CE1' ' HB2' ' A' ' 451' ' ' ALA . 2.3 t-160 -99.77 119.35 38.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.56 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.974 ' CE1' HG11 ' A' ' 469' ' ' VAL . 15.9 p90 -130.78 153.96 48.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.682 ' C ' HD12 ' A' ' 477' ' ' LEU . 1.3 ttt180 -146.58 125.33 6.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.96 14.87 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' ALA . . . . . 0.573 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -52.76 103.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.29 -0.51 29.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -108.81 -148.63 13.16 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.66 161.42 30.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.583 ' CZ3' ' HB3' ' A' ' 442' ' ' ARG . 57.2 m95 -71.68 157.22 38.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 107.981 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 449' ' ' THR . . . . . 0.595 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 1.6 p -84.12 157.32 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -59.11 95.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.649 ' HB2' ' CE1' ' A' ' 440' ' ' HIS . . . -56.34 128.08 72.6 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.645 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -75.01 138.89 58.69 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.992 -2.504 . . . . 0.0 110.952 0.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.645 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -37.25 -107.51 0.0 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 1.008 HG11 HD11 ' A' ' 467' ' ' ILE . 2.1 p -131.79 151.77 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -78.74 121.03 24.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' MET . . . . . 0.871 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -54.48 119.41 5.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 457' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 466' ' ' LYS . 11.8 mm100 -50.18 173.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.34 131.89 34.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.841 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -111.91 102.49 10.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 461' ' ' ILE . 12.4 pt-20 -57.07 -16.59 7.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.557 ' C ' ' O ' ' A' ' 460' ' ' GLU . 5.9 mm -28.08 -48.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.9 m 156.57 47.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 93.12 39.87 5.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.798 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 2.7 m-30 -117.8 174.0 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.871 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -120.63 144.5 48.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.841 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 54.3 mtpt -129.03 141.3 51.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 1.008 HD11 HG11 ' A' ' 454' ' ' VAL . 0.2 OUTLIER -151.2 130.1 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 468' ' ' THR . . . . . 0.648 HG23 ' OG1' ' A' ' 427' ' ' THR . 4.4 m -122.65 128.64 50.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.974 HG11 ' CE1' ' A' ' 441' ' ' TYR . 10.7 t -131.8 134.91 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.8 145.52 29.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.883 HD11 ' CG2' ' A' ' 500' ' ' THR . 37.8 pt -130.38 21.88 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.656 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -48.53 84.36 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.9 m 146.25 -13.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 0.573 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -127.56 136.68 52.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -7.2 56.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.965 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 476' ' ' GLN . . . . . 0.437 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 5.5 mt-30 -153.27 161.9 41.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.682 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -145.32 142.98 29.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.535 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 2.8 mt-10 -98.18 148.32 23.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.748 ' HB3' ' HE2' ' A' ' 498' ' ' PHE . . . -139.36 156.32 47.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 480' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -145.93 152.61 39.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.628 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.6 t80 -110.42 140.1 44.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.461 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.7 OUTLIER -162.55 135.87 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.488 ' OD2' ' CZ ' ' A' ' 434' ' ' PHE . 31.4 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 495' ' ' ASN . . . . . 0.525 HD22 ' N ' ' A' ' 495' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 478' ' ' GLU . 34.0 m-85 -80.13 162.0 24.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 497' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 12.4 t -125.18 136.28 53.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.001 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 498' ' ' PHE . . . . . 1.173 ' CE1' HG21 ' A' ' 516' ' ' ILE . 15.8 m-85 -139.38 153.95 47.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -105.04 152.78 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.883 ' CG2' HD11 ' A' ' 471' ' ' ILE . 23.9 p -32.58 147.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 120.53 -144.87 17.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.888 HG23 ' HB ' ' A' ' 427' ' ' THR . 2.7 m -127.96 136.32 51.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.459 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 428' ' ' ILE . 0.1 OUTLIER -132.82 149.02 52.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.435 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 3.3 m -110.33 139.0 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -116.18 120.71 39.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.739 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.1 m -120.92 146.54 44.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 507' ' ' PRO . . . . . 0.739 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.212 0 O-C-N 124.466 1.772 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.23 142.41 27.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 110.421 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 1.173 HG21 ' CE1' ' A' ' 498' ' ' PHE . 1.1 mt -123.55 137.78 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 517' ' ' THR . . . . . 0.435 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.1 OUTLIER -126.26 162.25 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 60.6 p -106.29 93.02 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 128.55 132.8 3.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.529 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.14 153.71 44.64 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.501 ' HB3' HG22 ' A' ' 500' ' ' THR . 7.7 m-80 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.22 148.64 51.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 500' ' ' THR . 6.1 t -130.0 120.35 49.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 427' ' ' THR . . . . . 1.006 ' HB ' HG23 ' A' ' 502' ' ' THR . 34.2 m -107.64 135.23 49.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -132.72 121.14 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.72 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.4 m-30 -114.56 114.46 25.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.577 ' CE2' ' CE1' ' A' ' 481' ' ' PHE . 12.4 t80 -106.82 139.88 40.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 3.9 tttt -64.97 140.49 58.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 5.6 ttmt -74.94 103.02 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -120.09 9.68 11.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.6 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 12.2 m-85 -142.23 -61.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.728 . . . . 0.0 110.995 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 11.1 m-20 147.7 -60.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.444 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 68.8 m -132.43 62.13 61.25 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -74.99 151.84 40.05 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.793 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -105.56 144.38 32.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.622 HD11 ' HB1' ' A' ' 479' ' ' ALA . 0.3 OUTLIER -127.52 119.2 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.772 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 0.7 OUTLIER -91.92 119.55 31.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.827 ' CD1' HG11 ' A' ' 469' ' ' VAL . 5.2 p90 -122.19 151.08 41.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.537 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.8 ttt180 -154.81 123.97 3.11 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 443' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.3 Cg_endo -75.0 134.56 17.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 444' ' ' ALA . . . . . 0.623 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -52.16 99.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 107.9 7.86 30.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.571 1.17 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -110.29 -152.03 13.29 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.07 157.8 30.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.537 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 42.3 m95 -74.56 156.68 36.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 108.017 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 449' ' ' THR . . . . . 0.458 HG21 ' CE2' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -77.52 -179.51 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -78.77 97.43 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.772 ' HB2' ' HE1' ' A' ' 440' ' ' HIS . . . -55.74 139.79 68.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.599 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.5 Cg_endo -74.96 120.15 6.44 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.984 -0.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.655 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.8 -132.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.757 HG11 HD11 ' A' ' 467' ' ' ILE . 1.4 p -133.38 131.04 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -54.56 110.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' MET . . . . . 0.938 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 7.2 mtt -54.68 127.65 29.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.58 173.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.44 134.29 34.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.845 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -112.33 109.49 19.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 461' ' ' ILE . 10.7 pt-20 -64.83 -18.69 65.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.569 ' O ' ' CB ' ' A' ' 462' ' ' SER . 1.0 OUTLIER -29.3 -45.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.8 OUTLIER 154.04 59.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 79.19 52.64 4.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.814 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 5.2 m-85 -131.69 -179.31 5.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 0.791 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.938 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.28 148.62 47.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.845 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 53.7 mtpt -129.1 145.79 51.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 0.757 HD11 HG11 ' A' ' 454' ' ' VAL . 0.3 OUTLIER -151.62 130.26 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 468' ' ' THR . . . . . 0.526 HG23 ' OG1' ' A' ' 427' ' ' THR . 2.3 m -121.11 127.85 52.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.827 HG11 ' CD1' ' A' ' 441' ' ' TYR . 9.7 t -132.42 131.64 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -84.64 145.14 28.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.936 HD11 ' CG2' ' A' ' 500' ' ' THR . 11.3 pt -131.83 26.66 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.653 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -51.6 80.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.653 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.7 m 146.72 -12.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 0.623 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -124.05 139.69 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -6.98 59.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -153.77 162.13 41.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.438 HD11 ' HB2' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -140.84 142.74 34.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.495 ' CG ' ' HB3' ' A' ' 495' ' ' ASN . 11.8 tp10 -98.1 139.49 33.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.684 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -130.09 157.14 43.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 480' ' ' ALA . . . . . 0.533 ' O ' HD13 ' A' ' 439' ' ' ILE . . . -144.53 153.41 41.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.577 ' CE1' ' CE2' ' A' ' 430' ' ' TYR . 9.1 t80 -110.41 145.94 36.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 481' ' ' PHE . 0.7 OUTLIER -154.25 152.03 29.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.4 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 495' ' ' ASN . . . . . 0.495 ' HB3' ' CG ' ' A' ' 478' ' ' GLU . 2.0 m-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 1.029 ' CD1' HD11 ' A' ' 516' ' ' ILE . 61.3 m-85 -91.05 147.85 22.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.8 t -122.6 129.89 52.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 498' ' ' PHE . . . . . 0.82 ' CE1' HG21 ' A' ' 516' ' ' ILE . 10.1 m-85 -132.9 143.67 49.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.549 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -99.22 148.25 24.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.936 ' CG2' HD11 ' A' ' 471' ' ' ILE . 31.4 p -26.46 138.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 129.94 -146.93 17.8 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 502' ' ' THR . . . . . 1.006 HG23 ' HB ' ' A' ' 427' ' ' THR . 2.0 m -129.83 132.98 46.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.41 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 517' ' ' THR . 0.3 OUTLIER -130.64 149.48 52.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.048 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 516' ' ' ILE . 15.4 m -113.27 138.49 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 505' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 12.1 t80 -118.32 126.24 51.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.801 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.0 m -133.75 147.7 65.45 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.451 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 507' ' ' PRO . . . . . 0.801 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.553 1.818 . . . . 0.0 111.009 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.36 138.85 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 1.029 HD11 ' CD1' ' A' ' 496' ' ' TYR . 5.8 mt -122.54 138.67 51.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 517' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 503' ' ' SER . 0.0 OUTLIER -130.48 162.71 28.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 28.3 p -105.42 91.89 3.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 131.56 131.77 3.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.503 ' CB ' ' CD2' ' A' ' 429' ' ' TYR . . . -63.96 152.09 88.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.763 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 521' ' ' PRO . . . . . 0.405 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' A' ' 470' ' ' ASP . 9.9 m-80 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.32 137.25 49.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.65 HG21 HD13 ' A' ' 471' ' ' ILE . 14.0 t -129.51 114.06 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 427' ' ' THR . . . . . 0.995 ' HB ' HG23 ' A' ' 502' ' ' THR . 45.9 m -101.16 135.72 42.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 428' ' ' ILE . . . . . 0.412 HG13 ' OG ' ' A' ' 503' ' ' SER . 0.9 OUTLIER -131.49 122.3 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.711 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.1 m-30 -113.62 108.92 17.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.604 ' OH ' ' CE1' ' A' ' 481' ' ' PHE . 4.1 t80 -107.81 140.51 40.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.6 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 14.8 tttm -63.57 140.21 58.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 463' ' ' GLY . 0.0 OUTLIER -94.17 116.33 28.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -120.01 -5.36 10.78 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.555 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 0.7 OUTLIER -115.19 -64.8 1.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.0 p30 151.66 -48.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.49 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 60.2 p -137.88 60.35 23.61 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.49 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.05 150.37 37.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 438' ' ' TYR . 13.5 m-85 -104.57 150.74 24.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.507 HD13 HG21 ' A' ' 467' ' ' ILE . 1.9 tt -130.31 119.11 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.713 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 0.9 OUTLIER -94.71 117.25 29.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.572 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.871 ' CE1' HG11 ' A' ' 469' ' ' VAL . 3.4 p90 -135.34 152.79 51.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.775 ' C ' HD12 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -149.93 133.79 8.89 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 443' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.4 Cg_endo -75.02 133.48 16.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 444' ' ' ALA . . . . . 0.735 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -39.11 131.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 61.54 27.03 67.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -118.51 -136.22 5.4 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.24 147.95 32.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 110.006 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.629 ' CH2' ' ND2' ' A' ' 495' ' ' ASN . 88.1 m95 -75.27 160.32 30.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 449' ' ' THR . . . . . 0.585 HG22 ' H ' ' A' ' 450' ' ' ALA . 2.7 m -74.55 -173.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.585 ' H ' HG22 ' A' ' 449' ' ' THR . . . -83.27 104.49 13.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.713 ' HB2' ' HE1' ' A' ' 440' ' ' HIS . . . -54.51 139.23 59.1 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.609 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -75.04 120.43 6.65 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.97 0.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.65 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.63 -130.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.663 HG11 ' HE2' ' A' ' 441' ' ' TYR . 7.1 p -132.11 137.83 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -58.02 108.62 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 456' ' ' MET . . . . . 0.984 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 29.3 mtm -55.57 137.54 48.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -64.87 172.07 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.45 131.76 34.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.843 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -111.97 102.25 10.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.0 pt-20 -57.34 -16.18 8.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.565 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -28.66 -46.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.4 m 153.71 44.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.432 ' O ' ' HB3' ' A' ' 432' ' ' LYS . . . 96.27 45.97 2.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.835 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.8 m-85 -126.13 177.75 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.984 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -120.73 151.01 40.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.843 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 51.3 mtpt -130.67 146.72 52.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 0.734 HD13 ' HA ' ' A' ' 456' ' ' MET . 1.5 tp -151.7 130.3 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 468' ' ' THR . . . . . 0.464 HG23 ' OG1' ' A' ' 427' ' ' THR . 3.4 m -123.28 123.23 40.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.871 HG11 ' CE1' ' A' ' 441' ' ' TYR . 10.2 t -132.01 135.76 57.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 470' ' ' ASP . . . . . 0.448 ' HA ' ' O ' ' A' ' 424' ' ' ASN . 2.1 t70 -83.32 145.59 28.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.65 HD13 HG21 ' A' ' 426' ' ' VAL . 12.9 pt -139.82 28.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.42 ' CA ' ' N ' ' A' ' 424' ' ' ASN . . . -53.25 -16.06 4.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.452 1.095 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.71 2.48 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.003 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 0.735 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -141.58 128.23 20.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 2.6 t -69.24 -8.97 50.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 476' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 11.4 mt-30 -153.89 162.82 40.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.775 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.4 OUTLIER -142.49 141.89 32.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.52 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 12.3 mp0 -98.03 147.78 24.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.706 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -139.23 156.87 46.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 480' ' ' ALA . . . . . 0.771 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -145.17 150.61 37.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.604 ' CE1' ' OH ' ' A' ' 430' ' ' TYR . 1.5 t80 -109.92 137.87 47.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.472 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.3 OUTLIER -161.59 134.31 6.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 495' ' ' ASN . . . . . 0.771 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 3.5 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 1.064 ' CD1' HD11 ' A' ' 516' ' ' ILE . 71.0 m-85 -89.2 158.14 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 497' ' ' SER . . . . . 0.483 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 6.8 t -131.06 139.01 49.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 110.027 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 498' ' ' PHE . . . . . 0.799 ' CE1' HG21 ' A' ' 516' ' ' ILE . 11.9 m-85 -138.7 147.62 42.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.527 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -102.87 152.13 21.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.942 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.646 ' CG2' HD11 ' A' ' 471' ' ' ILE . 26.9 p -27.62 140.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.28 -150.46 17.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.995 HG23 ' HB ' ' A' ' 427' ' ' THR . 4.1 m -128.75 133.38 48.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 110.387 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.412 ' OG ' HG13 ' A' ' 428' ' ' ILE . 78.0 p -134.57 149.11 50.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 4.8 m -116.08 138.08 51.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.354 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 505' ' ' TYR . . . . . 0.565 ' OH ' ' CE2' ' A' ' 496' ' ' TYR . 8.1 t80 -119.55 128.63 54.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.717 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.9 m -132.92 146.36 60.98 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 507' ' ' PRO . . . . . 0.717 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.58 139.06 30.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 1.064 HD11 ' CD1' ' A' ' 496' ' ' TYR . 4.2 mt -119.86 138.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.73 162.59 26.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 4.7 m -105.49 91.58 3.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.33 135.32 3.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.501 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.18 156.66 26.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 521' ' ' PRO . . . . . 0.434 ' HG2' HG21 ' A' ' 461' ' ' ILE . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.456 1.766 . . . . 0.0 110.99 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.522 ' HB3' HG22 ' A' ' 500' ' ' THR . 5.7 m120 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -130.15 147.54 51.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 3.4 t -129.28 120.72 51.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 427' ' ' THR . . . . . 0.701 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 51.9 m -106.86 136.26 47.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 428' ' ' ILE . . . . . 0.535 ' HB ' HG22 ' A' ' 467' ' ' ILE . 2.6 mt -132.54 121.62 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.701 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.9 m-30 -114.65 113.12 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.626 ' CE2' ' CE1' ' A' ' 481' ' ' PHE . 6.5 t80 -108.64 141.19 40.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.541 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -63.76 139.68 58.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 6.0 ttmt -74.82 109.94 8.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.19 18.79 6.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.6 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 12.1 m-85 -152.32 -61.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.747 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.9 m-20 148.01 -60.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.477 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 61.0 p -133.28 61.05 52.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.04 147.8 34.27 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.414 ' HB2' ' ND2' ' A' ' 482' ' ' ASN . 21.8 m-85 -98.52 152.22 19.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.763 HD12 ' CE ' ' A' ' 456' ' ' MET . 4.6 tt -131.79 122.51 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.615 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 7.1 t-160 -92.72 118.49 31.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.606 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.764 ' CD1' HG11 ' A' ' 469' ' ' VAL . 4.6 p90 -127.25 151.65 48.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.525 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.9 ttt180 -153.35 126.36 4.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 443' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.3 Cg_endo -75.01 134.49 17.87 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.799 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.83 101.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 106.86 5.91 35.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -110.44 -151.35 12.85 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.08 162.2 21.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.525 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 50.3 m95 -77.42 155.73 31.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.05 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 449' ' ' THR . . . . . 0.439 HG21 ' CE2' ' A' ' 441' ' ' TYR . 0.4 OUTLIER -76.31 -175.78 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.407 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -79.08 93.15 5.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.664 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.01 139.49 63.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.577 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.03 119.37 5.92 Favored 'Cis proline' 0 C--N 1.359 1.11 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.03 0.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.664 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 19.87 -136.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.742 HG11 HD11 ' A' ' 467' ' ' ILE . 1.0 OUTLIER -131.94 135.69 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -54.55 108.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 456' ' ' MET . . . . . 0.907 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 7.4 mtp -53.86 127.01 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 457' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 466' ' ' LYS . 24.4 mt-30 -54.48 173.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.3 136.56 33.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.919 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -112.09 112.92 24.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.515 ' O ' ' C ' ' A' ' 461' ' ' ILE . 10.4 pt-20 -69.39 -18.36 63.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.558 ' O ' ' CB ' ' A' ' 462' ' ' SER . 0.9 OUTLIER -30.71 -46.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.9 OUTLIER 154.27 58.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 80.39 54.02 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.905 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.5 m-85 -132.58 -176.8 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 0.793 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.907 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -126.0 151.23 47.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.919 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 46.5 mtpt -133.32 148.18 51.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 0.742 HD11 HG11 ' A' ' 454' ' ' VAL . 0.4 OUTLIER -151.29 136.31 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.7 m -122.97 128.0 49.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.764 HG11 ' CD1' ' A' ' 441' ' ' TYR . 26.1 t -134.27 129.72 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -84.72 144.88 28.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.967 HD11 ' CG2' ' A' ' 500' ' ' THR . 29.9 pt -126.92 -39.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.478 ' HA2' ' N ' ' A' ' 424' ' ' ASN . . . 36.14 -90.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -54.61 -10.68 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.96 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 0.867 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -112.0 132.96 54.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.31 -13.77 54.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -151.92 163.32 39.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.88 ' C ' HD23 ' A' ' 477' ' ' LEU . 0.2 OUTLIER -140.64 134.28 30.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 2.4 tt0 -104.24 129.0 52.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.267 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.615 ' HA ' ' O ' ' A' ' 440' ' ' HIS . . . -143.53 166.64 24.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 480' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -139.78 168.99 18.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.626 ' CE1' ' CE2' ' A' ' 430' ' ' TYR . 1.4 t80 -108.53 144.46 36.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.516 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.9 OUTLIER -160.26 136.25 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.563 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 14.1 p-10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 495' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 0.988 ' CD1' HD11 ' A' ' 516' ' ' ILE . 55.3 m-85 -94.23 147.0 23.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 17.8 t -117.87 133.07 56.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 498' ' ' PHE . . . . . 0.734 ' CE1' HG21 ' A' ' 516' ' ' ILE . 8.5 m-85 -133.44 142.34 48.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.494 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -97.81 154.03 17.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.967 ' CG2' HD11 ' A' ' 471' ' ' ILE . 34.9 p -30.47 145.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 121.07 -145.58 17.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.489 HG23 ' HB ' ' A' ' 427' ' ' THR . 33.9 m -129.4 137.09 50.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 0.0 110.427 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 10.5 p -130.71 148.53 52.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.414 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 17.1 m -111.54 138.19 48.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 505' ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 3.2 t80 -122.0 123.86 42.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.75 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.9 m -129.44 146.52 61.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 507' ' ' PRO . . . . . 0.75 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.89 139.55 30.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.433 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 0.988 HD11 ' CD1' ' A' ' 496' ' ' TYR . 3.1 mt -123.82 138.91 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 517' ' ' THR . . . . . 0.414 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.6 OUTLIER -132.02 162.61 30.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.43 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 20.4 m -103.93 93.08 4.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 134.21 130.49 3.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.501 ' HB1' ' CD2' ' A' ' 429' ' ' TYR . . . -67.26 152.6 95.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 521' ' ' PRO . . . . . 0.405 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.43 ' HB3' HG22 ' A' ' 500' ' ' THR . 14.3 m120 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 137.02 51.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.602 HG11 HD23 ' A' ' 477' ' ' LEU . 4.4 t -127.63 120.59 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 427' ' ' THR . . . . . 0.934 ' HB ' HG23 ' A' ' 502' ' ' THR . 66.1 m -105.72 127.3 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 428' ' ' ILE . . . . . 0.729 HG21 HD11 ' A' ' 439' ' ' ILE . 2.9 mt -125.02 120.57 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.701 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 14.3 m-30 -114.0 113.3 24.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.608 ' CE2' ' O ' ' A' ' 431' ' ' LYS . 11.0 t80 -107.76 140.16 41.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.608 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 3.6 tmtm? -62.73 140.39 58.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 4.2 ttmt -79.56 106.83 11.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -121.47 6.58 10.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.605 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 15.6 m-85 -136.67 -59.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.605 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.3 m120 147.99 -63.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.288 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.469 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 8.3 t -131.07 61.54 60.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.2 Cg_endo -75.01 156.17 42.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 438' ' ' TYR . 7.1 m-85 -107.02 151.24 25.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.729 HD11 HG21 ' A' ' 428' ' ' ILE . 2.4 tt -131.18 119.08 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.537 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 1.7 t-160 -93.33 120.74 33.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.611 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.896 ' CD2' HG21 ' A' ' 469' ' ' VAL . 5.7 p90 -123.74 150.68 44.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.718 ' C ' HD12 ' A' ' 477' ' ' LEU . 2.3 ttp180 -147.03 125.04 6.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 133.7 16.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -56.15 102.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 113.93 0.67 24.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -116.34 -148.83 9.14 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 447' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 448' ' ' TRP . 12.0 t -121.61 -176.94 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.662 ' CZ2' ' ND2' ' A' ' 495' ' ' ASN . 71.5 m95 -91.08 162.13 14.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 107.995 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' THR . . . . . 0.485 ' N ' ' HE2' ' A' ' 440' ' ' HIS . 0.2 OUTLIER -77.34 -177.85 4.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -77.43 97.93 5.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.64 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.95 139.31 70.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.621 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.4 Cg_endo -74.93 120.53 6.7 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.024 -0.056 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.64 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.91 -130.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.65 HG11 HD11 ' A' ' 467' ' ' ILE . 10.1 p -133.03 138.94 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -60.19 113.14 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' MET . . . . . 0.957 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 37.7 mtm -59.39 128.75 38.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 457' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 466' ' ' LYS . 23.8 mm-40 -59.06 176.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.87 135.22 33.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.899 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -113.39 109.52 18.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 461' ' ' ILE . 12.8 pt-20 -66.15 -14.15 61.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.545 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -31.19 -46.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.4 m 155.19 44.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.29 48.21 2.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.892 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.2 m-85 -127.33 179.99 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.777 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.957 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -122.99 148.3 45.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.899 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 47.6 mtpt -128.24 146.25 50.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 0.65 HD11 HG11 ' A' ' 454' ' ' VAL . 0.3 OUTLIER -151.67 129.12 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 468' ' ' THR . . . . . 0.436 HG23 ' OG1' ' A' ' 427' ' ' THR . 3.2 m -120.93 125.42 47.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.896 HG21 ' CD2' ' A' ' 441' ' ' TYR . 14.7 t -132.99 136.92 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 470' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 424' ' ' ASN . 2.9 t70 -89.96 146.62 24.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.771 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 8.7 pt -129.53 8.32 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.714 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -22.07 108.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.714 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 7.1 t 106.13 -13.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 0.771 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -106.44 133.97 50.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.55 -15.7 56.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.041 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -155.35 161.73 40.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.718 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.1 OUTLIER -140.71 143.31 34.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.163 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.459 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 0.4 OUTLIER -95.99 148.18 22.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.82 ' HB3' ' CE1' ' A' ' 498' ' ' PHE . . . -136.28 156.63 48.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 480' ' ' ALA . . . . . 0.673 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -144.76 148.75 34.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.596 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 3.2 t80 -109.01 142.72 39.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.46 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.4 OUTLIER -160.54 148.17 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.574 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 15.9 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 495' ' ' ASN . . . . . 0.673 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 1.7 m-20 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 0.854 ' CD1' HD11 ' A' ' 516' ' ' ILE . 55.1 m-85 -88.17 161.56 17.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 497' ' ' SER . . . . . 0.489 ' C ' ' CD1' ' A' ' 498' ' ' PHE . 40.6 t -129.2 138.78 51.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 498' ' ' PHE . . . . . 0.82 ' CE1' ' HB3' ' A' ' 479' ' ' ALA . 0.8 OUTLIER -141.88 145.34 34.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.525 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -97.68 146.14 25.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.752 ' CG2' HD11 ' A' ' 471' ' ' ILE . 41.0 p -28.75 142.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 127.11 -144.1 14.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.934 HG23 ' HB ' ' A' ' 427' ' ' THR . 1.3 m -129.54 131.3 46.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 503' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 517' ' ' THR . 4.2 p -130.94 149.31 52.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.434 ' OG1' ' HD3' ' A' ' 521' ' ' PRO . 37.3 m -111.97 138.69 48.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.448 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -121.26 122.45 39.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.783 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.1 m -129.62 147.31 64.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 507' ' ' PRO . . . . . 0.783 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.14 140.84 29.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 0.854 HD11 ' CD1' ' A' ' 496' ' ' TYR . 11.3 mt -123.22 138.96 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 517' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 503' ' ' SER . 0.0 OUTLIER -132.77 162.94 30.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.395 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 4.7 m -105.43 92.48 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 133.69 131.24 3.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.558 ' HB1' ' CD2' ' A' ' 429' ' ' TYR . . . -67.72 147.65 98.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 521' ' ' PRO . . . . . 0.458 ' HG2' HG21 ' A' ' 461' ' ' ILE . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.458 ' N ' ' HA2' ' A' ' 472' ' ' GLY . 13.9 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.48 ' HD2' HG22 ' A' ' 468' ' ' THR . 0.1 OUTLIER -130.1 144.47 51.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.89 117.03 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 427' ' ' THR . . . . . 0.844 ' HB ' HG23 ' A' ' 502' ' ' THR . 96.1 m -103.22 135.52 44.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 428' ' ' ILE . . . . . 0.414 ' HB ' HG22 ' A' ' 467' ' ' ILE . 2.5 mt -133.21 122.15 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.697 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.3 m-30 -114.0 110.91 20.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.607 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.0 t80 -106.79 140.27 39.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.606 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -62.96 140.86 58.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.4 ttmm -82.81 109.73 17.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -126.53 16.03 6.66 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.58 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 28.9 m-85 -146.22 -63.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.58 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.2 m120 149.29 -63.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.463 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 58.1 m -130.25 61.77 60.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.463 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.02 144.08 29.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.584 ' CD2' ' HB2' ' A' ' 452' ' ' PRO . 76.4 m-85 -91.28 150.93 21.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 439' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.39 125.86 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 448' ' ' TRP . 1.3 t-80 -100.53 117.97 35.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.604 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.814 ' CE1' HG11 ' A' ' 469' ' ' VAL . 4.9 p90 -132.91 151.56 52.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.618 ' HG2' ' CE2' ' A' ' 448' ' ' TRP . 0.0 OUTLIER -153.53 131.99 6.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 443' ' ' PRO . . . . . 0.419 ' O ' ' HD2' ' A' ' 442' ' ' ARG . 18.1 Cg_endo -75.06 134.75 18.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 444' ' ' ALA . . . . . 0.483 ' HA ' HH21 ' A' ' 442' ' ' ARG . . . -44.43 135.95 4.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 64.49 16.01 60.15 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -109.51 -134.7 7.03 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.36 146.75 30.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.618 ' CE2' ' HG2' ' A' ' 442' ' ' ARG . 86.4 m95 -73.75 156.47 37.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 107.968 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 449' ' ' THR . . . . . . . . . . . . . 1.7 p -73.32 -174.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.528 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -89.44 95.88 10.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.449 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -52.21 127.24 37.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.64 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -74.97 144.54 81.3 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.99 -0.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -45.74 -116.91 0.0 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.404 HG13 HD11 ' A' ' 467' ' ' ILE . 3.5 p -130.67 142.13 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.53 115.02 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 456' ' ' MET . . . . . 0.864 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -46.28 120.04 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 457' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 8.8 mm100 -47.4 174.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.31 133.7 34.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.833 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -113.71 105.4 13.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.5 pt-20 -59.78 -15.5 20.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.561 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.2 mm -29.39 -47.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.0 OUTLIER 154.48 44.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.03 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.15 46.53 2.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.827 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.8 m-85 -126.84 179.89 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.864 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.07 147.22 48.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.833 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 51.1 mtpt -127.39 146.98 50.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 0.813 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.2 tp -150.97 129.47 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 468' ' ' THR . . . . . 0.48 HG22 ' HD2' ' A' ' 425' ' ' LYS . 1.7 m -121.61 123.5 42.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.814 HG11 ' CE1' ' A' ' 441' ' ' TYR . 21.4 t -131.85 133.38 61.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.78 145.48 26.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.9 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 40.0 pt -121.96 -38.15 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.458 ' HA2' ' N ' ' A' ' 424' ' ' ASN . . . 36.88 -91.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -55.29 -13.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.988 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 0.9 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -108.28 127.29 53.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.31 -13.03 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -153.37 161.78 41.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.592 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -140.61 131.85 26.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.453 ' OE1' ' NH2' ' A' ' 442' ' ' ARG . 0.8 OUTLIER -111.56 135.69 51.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.721 ' HB2' ' CB ' ' A' ' 441' ' ' TYR . . . -149.34 162.92 39.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 480' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -130.89 169.05 16.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.607 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.8 t80 -109.16 145.75 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.457 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 1.0 OUTLIER -161.58 137.88 8.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 434' ' ' PHE . 20.1 p-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 495' ' ' ASN . . . . . 0.412 ' OD1' ' CZ2' ' A' ' 448' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 0.704 ' CD1' HD11 ' A' ' 516' ' ' ILE . 64.0 m-85 -94.46 153.87 17.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.7 t -112.15 141.36 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 498' ' ' PHE . . . . . 0.45 ' HE1' HG21 ' A' ' 516' ' ' ILE . 15.6 m-85 -138.0 146.98 43.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.481 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.1 OUTLIER -107.88 154.84 21.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.035 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.712 HG22 HD11 ' A' ' 471' ' ' ILE . 36.8 p -32.4 143.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 119.0 -146.41 18.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.844 HG23 ' HB ' ' A' ' 427' ' ' THR . 11.2 m -129.17 137.84 51.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 9.1 p -132.78 148.68 52.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.946 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.419 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 3.8 m -111.02 139.02 46.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.373 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 505' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 3.0 t80 -120.23 125.78 49.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.76 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.7 m -133.2 147.0 63.36 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 507' ' ' PRO . . . . . 0.76 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.599 1.842 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.67 142.57 27.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.74 . . . . 0.0 110.422 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 0.704 HD11 ' CD1' ' A' ' 496' ' ' TYR . 1.6 mt -123.19 138.36 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 517' ' ' THR . . . . . 0.419 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.6 OUTLIER -128.7 162.13 28.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.423 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 79.1 p -105.55 93.12 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.976 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.19 131.69 3.41 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -58.79 156.22 26.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 0.798 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 110.966 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.557 ' HB3' HG22 ' A' ' 500' ' ' THR . 26.6 m120 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 426' ' ' VAL . 0.8 OUTLIER -128.1 145.73 50.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.479 ' CG2' HD13 ' A' ' 471' ' ' ILE . 8.8 t -127.6 124.99 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 427' ' ' THR . . . . . 0.857 ' HB ' HG23 ' A' ' 502' ' ' THR . 54.8 m -109.69 136.48 48.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 2.6 mt -132.51 122.03 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.701 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.6 m-30 -114.47 110.51 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.612 ' CE2' ' O ' ' A' ' 431' ' ' LYS . 19.4 t80 -107.06 139.38 41.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.612 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.4 OUTLIER -64.14 140.27 58.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.3 ttmt -76.82 104.69 7.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -119.37 7.01 12.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.614 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 17.2 m-85 -140.25 -60.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 111.053 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 12.8 m-20 147.07 -60.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.476 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 49.5 m -132.43 61.18 55.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.99 151.24 39.32 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.508 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 65.3 m-85 -99.02 151.31 21.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.542 HG21 HG21 ' A' ' 467' ' ' ILE . 0.1 OUTLIER -133.09 119.12 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.637 ' CE1' ' CE3' ' A' ' 448' ' ' TRP . 6.4 t-160 -92.36 121.23 33.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.794 ' CD1' HG11 ' A' ' 469' ' ' VAL . 6.6 p90 -129.34 151.78 49.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.53 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.9 ttt180 -153.35 125.11 3.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.333 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.88 18.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' ALA . . . . . 0.459 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -53.86 101.8 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 104.66 8.47 37.31 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.13 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -111.64 -152.95 12.3 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.9 155.45 35.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.044 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.637 ' CE3' ' CE1' ' A' ' 440' ' ' HIS . 36.7 m95 -70.58 158.88 35.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.038 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 449' ' ' THR . . . . . 0.683 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -81.58 -175.29 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -81.12 96.07 7.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.676 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -58.48 138.77 85.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.619 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.96 118.62 5.41 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.977 -2.51 . . . . 0.0 111.024 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.676 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 13.27 -130.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 14.6 p -132.96 138.69 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.57 110.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' MET . . . . . 0.897 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 24.4 mtm -50.82 123.64 9.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 457' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 13.9 mt-30 -52.83 174.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.63 131.98 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.359 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.85 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -110.5 107.95 17.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.4 pt-20 -59.67 -15.09 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.239 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.576 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.2 mm -30.06 -45.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.2 m 152.76 44.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.036 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 95.72 45.73 2.86 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.686 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 2.3 m-85 -123.05 -179.82 4.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 0.731 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.897 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.75 144.34 50.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.85 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 56.5 mtpt -126.13 143.91 50.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 0.887 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.3 tp -150.89 129.7 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.5 m -119.0 122.81 43.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.794 HG11 ' CD1' ' A' ' 441' ' ' TYR . 44.1 t -124.54 127.11 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.05 145.3 30.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.764 HD11 ' CG2' ' A' ' 500' ' ' THR . 11.1 pt -131.68 28.0 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.638 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -51.63 78.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.2 m 148.27 -15.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 0.742 . . . . 0.0 109.944 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -123.57 135.49 54.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.0 -8.19 57.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -154.51 162.4 41.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.858 ' C ' HD23 ' A' ' 477' ' ' LEU . 0.2 OUTLIER -141.95 139.36 32.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 3.2 tt0 -107.34 128.08 54.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.542 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -144.85 162.34 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -138.47 168.54 19.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.591 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.1 t80 -109.53 145.42 36.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.506 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.5 OUTLIER -162.33 135.61 6.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.432 ' OD2' ' N ' ' A' ' 483' ' ' ASP . 10.6 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 495' ' ' ASN . . . . . 0.875 ' N ' HD21 ' A' ' 495' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 0.501 ' O ' ' HA ' ' A' ' 478' ' ' GLU . 47.7 m-85 -95.92 152.79 18.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 48.5 t -115.41 139.1 50.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 498' ' ' PHE . . . . . 0.715 ' HE1' HG21 ' A' ' 516' ' ' ILE . 8.9 m-85 -137.59 143.21 41.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.508 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -100.06 149.63 23.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.764 ' CG2' HD11 ' A' ' 471' ' ' ILE . 41.4 p -28.67 141.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 125.51 -146.63 16.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.434 1.084 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.857 HG23 ' HB ' ' A' ' 427' ' ' THR . 8.1 m -129.87 138.59 51.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.455 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 6.3 p -133.86 148.02 51.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.406 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 6.0 m -115.19 137.95 51.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.447 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -121.76 118.96 30.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 3.0 m -118.69 121.85 30.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 507' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.477 1.778 . . . . 0.0 111.03 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.93 138.46 31.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 110.453 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 0.715 HG21 ' HE1' ' A' ' 498' ' ' PHE . 4.3 mt -123.58 138.07 54.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 517' ' ' THR . . . . . 0.406 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 1.2 p -126.5 162.06 26.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 58.5 m -105.38 91.5 3.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 132.94 132.57 3.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.552 1.158 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.27 156.58 28.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.414 ' HB3' HG22 ' A' ' 500' ' ' THR . 10.8 m-80 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.745 ' HD2' HG22 ' A' ' 468' ' ' THR . 5.8 tppt? -128.7 146.34 50.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.592 ' CG2' HD13 ' A' ' 471' ' ' ILE . 9.9 t -133.77 123.8 46.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 427' ' ' THR . . . . . 0.919 ' HB ' HG23 ' A' ' 502' ' ' THR . 74.5 m -112.21 134.18 53.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -132.93 122.76 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.693 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.2 m-30 -114.2 113.06 24.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.605 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.2 t80 -107.39 140.55 40.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -62.71 140.78 58.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.8 ttmt -74.07 117.53 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.41 10.02 6.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.567 ' O ' ' ND2' ' A' ' 435' ' ' ASN . 0.4 OUTLIER -144.14 -70.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 110.959 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.567 ' ND2' ' O ' ' A' ' 434' ' ' PHE . 3.1 p30 154.42 -25.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.505 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 46.0 m -166.29 59.34 0.54 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.03 150.57 38.22 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.574 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 20.8 m-85 -97.74 152.11 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.492 HG21 HG21 ' A' ' 467' ' ' ILE . 0.2 OUTLIER -132.9 123.72 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.73 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 21.6 t60 -96.46 122.98 39.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.624 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 1.002 ' CE1' HG11 ' A' ' 469' ' ' VAL . 6.7 p90 -129.97 152.47 49.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.519 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.5 ttt180 -152.65 125.92 4.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 134.95 18.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.796 . . . . 0.0 111.051 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -54.48 102.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 105.69 5.71 38.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -109.16 -150.24 13.69 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.28 154.98 44.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.777 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.73 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 41.3 m95 -69.65 158.29 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 0.0 108.039 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 449' ' ' THR . . . . . 0.579 HG22 ' H ' ' A' ' 450' ' ' ALA . 2.1 m -83.63 -171.16 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.365 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.579 ' H ' HG22 ' A' ' 449' ' ' THR . . . -80.67 100.15 8.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.589 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -63.99 132.07 95.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.658 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -75.05 121.9 7.77 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.981 0.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.658 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -0.47 -118.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.751 ' CG1' HD11 ' A' ' 467' ' ' ILE . 0.3 OUTLIER -132.36 157.56 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.262 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -78.84 106.07 10.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' MET . . . . . 0.899 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -42.18 120.85 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.94 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 457' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 466' ' ' LYS . 41.6 mm-40 -52.68 174.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.52 133.83 34.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.84 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -113.74 108.04 16.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' ' 461' ' ' ILE . 10.6 pt-20 -63.25 -18.77 63.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' A' ' 462' ' ' SER . 1.0 OUTLIER -29.66 -47.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.2 m 155.73 60.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 77.98 47.6 8.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.84 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 4.2 m-85 -125.14 177.33 6.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.899 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -122.96 144.91 48.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.836 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 50.9 mtpt -125.01 146.28 49.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 0.868 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.5 tp -151.28 128.89 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 468' ' ' THR . . . . . 0.784 HG23 ' OG1' ' A' ' 427' ' ' THR . 3.4 m -125.0 121.24 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 1.002 HG11 ' CE1' ' A' ' 441' ' ' TYR . 15.0 t -130.9 140.48 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 470' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 425' ' ' LYS . 3.2 t70 -89.97 146.75 24.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.971 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 7.3 pt -116.21 -14.38 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 74.01 -101.42 1.22 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.7 -12.83 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.803 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 0.971 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -52.71 124.58 14.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 1.4 t -74.19 -15.61 61.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.003 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -156.77 163.28 39.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.271 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.86 134.98 32.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 0.5 OUTLIER -102.02 129.26 48.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.532 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -147.69 162.02 40.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 480' ' ' ALA . . . . . 0.45 ' O ' ' CD1' ' A' ' 439' ' ' ILE . . . -138.67 168.7 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.605 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.7 t80 -110.49 146.67 35.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.518 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 3.6 p30 -162.17 146.85 12.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.557 ' OD2' ' CZ ' ' A' ' 434' ' ' PHE . 30.7 p30 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 495' ' ' ASN . . . . . 0.877 ' N ' HD21 ' A' ' 495' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 1.046 ' CD1' HD11 ' A' ' 516' ' ' ILE . 84.3 m-85 -94.46 156.98 16.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 28.3 t -120.0 136.37 54.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -134.22 140.75 46.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.526 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -99.14 151.16 21.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.028 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.869 HG22 HD11 ' A' ' 471' ' ' ILE . 23.9 p -27.75 140.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.438 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 122.57 -150.67 16.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.919 HG23 ' HB ' ' A' ' 427' ' ' THR . 10.4 m -127.98 136.59 51.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 110.422 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.87 147.53 52.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.96 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.423 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 8.5 m -108.26 138.77 43.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -120.8 125.56 47.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.755 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.8 m -131.86 147.03 64.29 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.444 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 507' ' ' PRO . . . . . 0.755 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.15 140.43 29.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.399 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 1.046 HD11 ' CD1' ' A' ' 496' ' ' TYR . 4.8 mt -123.5 137.91 55.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 517' ' ' THR . . . . . 0.423 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.1 OUTLIER -128.57 161.34 29.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.422 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 6.2 m -104.56 92.26 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.944 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 127.0 131.99 3.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.512 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -60.12 155.17 46.64 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.112 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 424' ' ' ASN . . . . . . . . . . . . . 12.8 m120 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.18 139.14 52.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.653 HG11 HD12 ' A' ' 477' ' ' LEU . 29.1 t -129.17 128.49 66.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 427' ' ' THR . . . . . 0.79 ' HB ' HG23 ' A' ' 502' ' ' THR . 88.3 m -117.81 133.58 55.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.36 121.91 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.702 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 14.1 m-30 -113.09 114.4 26.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.587 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 28.3 t80 -107.9 139.86 41.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 9.8 tttt -63.0 140.21 58.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.6 ttmm -76.26 105.2 7.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -123.15 13.27 8.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.595 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 32.5 m-85 -145.59 -64.1 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.595 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 7.8 p-10 148.34 -54.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.476 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 24.4 p -137.93 61.06 26.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.1 Cg_endo -75.02 146.23 32.31 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.506 1.793 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.532 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 56.0 m-85 -94.19 148.83 21.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.531 HD13 ' N ' ' A' ' 440' ' ' HIS . 0.1 OUTLIER -131.63 119.47 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.578 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 5.2 t60 -93.44 125.8 38.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 1.073 ' CE1' HG11 ' A' ' 469' ' ' VAL . 8.7 p90 -133.98 153.13 51.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.499 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.3 ttt180 -156.38 126.26 3.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.44 17.79 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.7 99.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.39 2.98 29.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -107.02 -149.39 15.86 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.97 157.63 40.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.578 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 50.5 m95 -73.18 156.88 38.14 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 449' ' ' THR . . . . . 0.481 HG22 ' H ' ' A' ' 450' ' ' ALA . 1.3 m -83.6 -174.24 5.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.481 ' H ' HG22 ' A' ' 449' ' ' THR . . . -76.85 97.72 4.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.658 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -62.36 137.79 96.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.659 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.0 119.52 6.02 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.026 -0.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.659 ' C ' ' O ' ' A' ' 452' ' ' PRO . . . 8.37 -126.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.92 150.74 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -69.89 111.34 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' MET . . . . . 0.989 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 24.8 mtm -50.84 126.83 16.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 457' ' ' GLN . . . . . 0.436 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 9.6 mm100 -53.91 174.4 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.251 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.36 131.89 35.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.88 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -108.57 117.11 33.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 461' ' ' ILE . 11.3 pt-20 -67.52 -19.7 65.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.557 ' O ' ' CB ' ' A' ' 462' ' ' SER . 0.9 OUTLIER -29.58 -45.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.3 m 154.29 58.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 78.34 52.45 5.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.053 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.659 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 1.9 m-85 -126.96 -178.13 4.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 111.018 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.989 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -125.06 146.06 49.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.88 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 47.4 mtpt -130.21 143.76 50.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 0.98 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.2 tp -151.0 130.63 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 468' ' ' THR . . . . . 0.783 HG23 ' OG1' ' A' ' 427' ' ' THR . 5.3 m -127.28 121.78 32.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.41 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 1.073 HG11 ' CE1' ' A' ' 441' ' ' TYR . 4.2 t -132.24 137.68 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 470' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 472' ' ' GLY . 4.4 t70 -82.51 146.48 29.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.611 HD11 HG22 ' A' ' 500' ' ' THR . 16.7 pt -125.79 7.83 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.678 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -26.09 116.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.039 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.678 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 4.7 t 102.02 -12.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.977 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 0.479 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -114.74 130.1 56.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.42 -11.84 59.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -154.75 161.37 41.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.952 HD22 ' N ' ' A' ' 478' ' ' GLU . 0.0 OUTLIER -132.46 142.07 49.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.952 ' N ' HD22 ' A' ' 477' ' ' LEU . 0.5 OUTLIER -115.18 128.93 56.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.572 ' HA ' ' O ' ' A' ' 440' ' ' HIS . . . -147.23 163.54 36.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 480' ' ' ALA . . . . . 0.808 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -138.03 168.43 19.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.587 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.3 t80 -109.4 145.12 36.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.483 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.4 OUTLIER -162.17 138.75 7.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.527 ' CB ' ' CE2' ' A' ' 434' ' ' PHE . 18.1 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 495' ' ' ASN . . . . . 0.808 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 1.2 m-80 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 0.783 ' CD1' HD11 ' A' ' 516' ' ' ILE . 61.2 m-85 -85.17 151.6 23.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 15.3 t -115.15 133.97 55.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 498' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 498' ' ' PHE . 0.6 OUTLIER -135.19 143.19 46.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.55 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -99.61 145.46 27.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.611 HG22 HD11 ' A' ' 471' ' ' ILE . 45.4 p -26.62 139.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 125.5 -144.95 15.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.79 HG23 ' HB ' ' A' ' 427' ' ' THR . 10.0 m -129.75 137.96 50.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.413 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.7 p -133.03 148.75 52.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.415 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 5.1 m -108.09 139.0 43.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.438 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 505' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 2.1 t80 -123.06 123.67 41.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.692 HG23 ' HD2' ' A' ' 507' ' ' PRO . 4.0 m -130.46 146.05 60.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.397 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 507' ' ' PRO . . . . . 0.692 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.84 139.74 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 0.783 HD11 ' CD1' ' A' ' 496' ' ' TYR . 3.1 mt -123.43 139.57 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 517' ' ' THR . . . . . 0.415 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.0 OUTLIER -128.55 162.3 27.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 13.6 p -108.01 92.94 4.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 126.88 133.45 3.82 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.07 153.33 46.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 0.799 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.503 ' HB3' HG22 ' A' ' 500' ' ' THR . 17.9 m120 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 146.7 50.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.501 HG11 HD12 ' A' ' 477' ' ' LEU . 13.6 t -132.05 124.21 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 427' ' ' THR . . . . . 0.794 ' HB ' HG23 ' A' ' 502' ' ' THR . 88.1 m -111.89 135.09 52.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.444 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.2 mp -132.12 122.66 49.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.696 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.3 m-30 -114.33 111.32 21.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.652 ' CE1' ' O ' ' A' ' 431' ' ' LYS . 0.1 OUTLIER -107.18 139.18 42.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.652 ' O ' ' CE1' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -62.65 139.98 58.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 1.4 ttmm -72.86 114.67 11.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -124.43 1.36 8.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 483' ' ' ASP . 1.0 OUTLIER -135.68 -68.25 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 111.016 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.5 p30 152.97 -29.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 97.5 p -164.24 60.4 0.81 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.054 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 430' ' ' TYR . 18.3 Cg_endo -74.97 160.5 40.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.462 ' O ' ' ND2' ' A' ' 482' ' ' ASN . 27.8 m-85 -104.97 150.87 24.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.644 HG21 HG21 ' A' ' 467' ' ' ILE . 0.3 OUTLIER -131.5 118.98 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.481 ' CD2' ' H ' ' A' ' 449' ' ' THR . 1.8 t-160 -92.27 123.55 35.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.61 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.937 ' CD1' HG11 ' A' ' 469' ' ' VAL . 7.1 p90 -125.95 151.13 47.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.538 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.0 ttt180 -152.23 122.84 3.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.33 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 443' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.1 Cg_endo -75.03 134.08 17.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.55 1.816 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -52.94 98.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.85 4.22 28.02 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -108.98 -150.91 14.25 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.5 156.79 38.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.538 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 33.8 m95 -71.06 160.02 33.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 449' ' ' THR . . . . . 0.481 ' H ' ' CD2' ' A' ' 440' ' ' HIS . 0.2 OUTLIER -82.24 -178.91 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -78.84 99.43 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.66 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -57.32 140.19 79.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.0 120.01 6.36 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.017 -0.05 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.66 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.81 -129.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.552 HG11 ' HE2' ' A' ' 441' ' ' TYR . 10.2 p -132.6 139.76 49.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -60.1 121.37 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 456' ' ' MET . . . . . 0.9 ' HA ' HD13 ' A' ' 467' ' ' ILE . 34.7 mtp -70.91 138.06 49.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.24 174.32 5.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.82 135.28 35.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.868 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -111.0 106.24 15.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.1 pt-20 -60.92 -13.38 15.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.571 ' O ' ' CB ' ' A' ' 462' ' ' SER . 3.6 mm -32.84 -46.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 153.72 44.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.936 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.13 48.34 2.26 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.859 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.6 m-85 -129.24 -177.2 4.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.812 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -125.15 150.27 47.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.868 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 47.5 mtpt -129.47 148.45 51.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 0.9 HD13 ' HA ' ' A' ' 456' ' ' MET . 4.9 tp -150.6 129.36 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 468' ' ' THR . . . . . 0.425 HG23 ' OG1' ' A' ' 427' ' ' THR . 1.8 m -121.35 119.26 31.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.937 HG11 ' CD1' ' A' ' 441' ' ' TYR . 25.5 t -129.84 128.67 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 470' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 472' ' ' GLY . 2.9 t70 -83.71 146.64 28.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.831 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 9.2 pt -120.3 -10.26 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.428 ' N ' ' OD1' ' A' ' 470' ' ' ASP . . . 72.87 -100.36 1.01 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.73 -13.99 15.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 0.831 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -40.05 130.83 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.61 -22.02 60.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -157.41 163.25 38.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.982 ' C ' HD13 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -136.83 141.33 42.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.614 ' N ' HD22 ' A' ' 477' ' ' LEU . 0.2 OUTLIER -97.98 142.54 29.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.717 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -134.0 156.17 48.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 480' ' ' ALA . . . . . 0.685 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -145.63 146.81 31.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.521 ' CE1' ' CE2' ' A' ' 430' ' ' TYR . 4.1 t80 -109.76 138.86 45.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 438' ' ' TYR . 2.2 p30 -162.93 135.3 5.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 17.8 p-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 495' ' ' ASN . . . . . 0.685 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 0.717 ' CE1' HD11 ' A' ' 516' ' ' ILE . 33.1 m-85 -83.4 158.5 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 32.7 t -131.91 128.14 37.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.047 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 498' ' ' PHE . . . . . 0.806 ' CE1' HG21 ' A' ' 516' ' ' ILE . 5.7 m-85 -132.99 151.24 52.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -100.24 149.73 23.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.002 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.773 ' CG2' HD11 ' A' ' 471' ' ' ILE . 34.2 p -27.35 140.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 129.0 -148.3 18.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.794 HG23 ' HB ' ' A' ' 427' ' ' THR . 18.1 m -127.49 138.16 52.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.367 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.3 p -136.16 149.42 48.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 2.9 m -115.64 138.86 50.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 505' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 13.8 t80 -119.63 126.45 51.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.787 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.4 m -127.89 147.32 62.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 507' ' ' PRO . . . . . 0.787 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.205 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.18 138.14 31.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.37 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 0.806 HG21 ' CE1' ' A' ' 498' ' ' PHE . 2.0 mt -124.04 139.61 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.49 162.23 28.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 2.6 m -106.39 94.08 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 132.37 134.78 3.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.25 156.03 31.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 521' ' ' PRO . . . . . 0.549 ' HG2' HG21 ' A' ' 461' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.49 ' HB3' HG22 ' A' ' 500' ' ' THR . 24.2 m120 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.567 ' HD2' HG22 ' A' ' 468' ' ' THR . 3.8 tppt? -128.08 142.56 51.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 500' ' ' THR . 13.5 t -129.15 124.76 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 427' ' ' THR . . . . . 0.932 ' HB ' HG23 ' A' ' 502' ' ' THR . 23.8 m -113.69 136.15 53.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.389 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 428' ' ' ILE . . . . . 0.646 HG21 HD11 ' A' ' 439' ' ' ILE . 5.4 mt -132.76 122.85 47.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.719 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 17.5 m-30 -115.14 110.77 20.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.642 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 5.1 t80 -107.91 140.24 41.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.542 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -64.85 140.62 58.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.5 ttmm -74.46 118.5 17.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.83 1.34 6.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 483' ' ' ASP . 0.2 OUTLIER -134.51 -68.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.535 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.6 p30 152.54 -32.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.501 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 79.1 p -157.06 59.72 1.89 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.054 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.501 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.96 152.56 41.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.811 . . . . 0.0 111.064 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.432 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 32.9 m-85 -101.99 146.21 28.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.656 HG21 HG21 ' A' ' 467' ' ' ILE . 7.3 tt -123.49 117.32 50.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.844 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 47.8 t60 -94.04 117.22 29.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.625 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 1.014 ' CE1' HG11 ' A' ' 469' ' ' VAL . 10.4 p90 -130.19 153.89 48.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.588 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.9 ttt180 -151.42 123.71 4.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.12 17.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 474' ' ' ALA . . . -53.25 99.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.39 4.82 28.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -110.69 -151.88 12.77 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.56 156.35 39.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.977 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.844 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 35.1 m95 -68.48 164.44 21.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.023 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 449' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.49 177.48 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -74.03 94.24 2.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.649 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -54.96 139.19 63.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.599 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.97 120.17 6.46 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.004 -0.032 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.649 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.95 -133.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.842 HG11 HD11 ' A' ' 467' ' ' ILE . 2.6 p -132.26 135.76 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -57.24 109.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 456' ' ' MET . . . . . 0.817 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -52.9 124.93 15.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 457' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 466' ' ' LYS . 6.8 mm100 -51.3 174.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.45 134.02 34.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.881 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -113.8 103.37 11.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.1 pt-20 -60.08 -15.5 23.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.567 ' O ' ' CB ' ' A' ' 462' ' ' SER . 5.2 mm -28.95 -47.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.3 m 153.85 44.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.49 47.48 2.15 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.881 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 4.0 m-85 -128.73 177.06 7.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.817 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -122.31 147.72 45.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.853 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 54.2 mtpt -130.32 144.0 51.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 0.842 HD11 HG11 ' A' ' 454' ' ' VAL . 0.2 OUTLIER -150.55 130.06 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 468' ' ' THR . . . . . 0.731 HG23 ' OG1' ' A' ' 427' ' ' THR . 5.2 m -123.77 127.84 48.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 1.014 HG11 ' CE1' ' A' ' 441' ' ' TYR . 4.4 t -133.18 136.37 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -85.36 145.48 27.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.859 HD11 ' CG2' ' A' ' 500' ' ' THR . 8.4 pt -129.33 24.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.648 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -48.28 83.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.9 m 147.1 -15.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 444' ' ' ALA . . . -125.9 141.26 52.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.113 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 15.2 m -88.75 1.84 54.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.36 146.79 22.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 110.345 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.958 ' C ' HD13 ' A' ' 477' ' ' LEU . 0.1 OUTLIER -131.7 141.68 49.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.563 ' N ' HD13 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -99.35 145.32 27.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.217 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.624 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -140.04 158.23 44.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 480' ' ' ALA . . . . . 0.764 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -151.06 151.22 31.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.642 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.3 t80 -110.81 139.87 45.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.47 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.4 OUTLIER -161.41 144.05 12.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.55 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 30.0 p-10 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 495' ' ' ASN . . . . . 0.764 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 9.3 m-20 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 0.905 ' CD1' HD11 ' A' ' 516' ' ' ILE . 65.8 m-85 -86.48 157.24 19.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 497' ' ' SER . . . . . 0.539 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 1.5 t -131.3 137.25 48.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 498' ' ' PHE . . . . . 1.019 ' CE1' HG21 ' A' ' 516' ' ' ILE . 9.9 m-85 -142.17 141.97 32.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.549 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -90.44 149.92 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.859 ' CG2' HD11 ' A' ' 471' ' ' ILE . 22.2 p -26.54 138.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 130.0 -148.4 18.47 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.932 HG23 ' HB ' ' A' ' 427' ' ' THR . 5.9 m -128.18 137.9 52.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 5.1 p -133.86 148.73 51.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.419 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 3.9 m -110.74 139.27 46.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 505' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 20.4 t80 -121.32 125.31 46.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.81 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.2 m -130.65 147.8 67.52 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 507' ' ' PRO . . . . . 0.81 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.84 138.49 31.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 0.798 . . . . 0.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 1.019 HG21 ' CE1' ' A' ' 498' ' ' PHE . 2.5 mt -123.39 138.19 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 517' ' ' THR . . . . . 0.419 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.3 OUTLIER -128.49 162.11 27.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 5.1 m -105.41 93.43 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 128.68 132.08 3.49 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.34 155.84 33.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.542 ' HB3' HG22 ' A' ' 500' ' ' THR . 3.1 m-80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -123.4 152.18 41.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.516 HG11 HD12 ' A' ' 477' ' ' LEU . 39.3 t -127.05 132.81 69.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 427' ' ' THR . . . . . 0.839 ' HB ' HG23 ' A' ' 502' ' ' THR . 53.0 m -122.25 132.5 54.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.427 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 428' ' ' ILE . . . . . 0.568 HG21 HD11 ' A' ' 439' ' ' ILE . 1.6 mt -132.21 123.19 50.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.708 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.5 m-30 -114.37 110.82 20.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 431' ' ' LYS . 16.5 t80 -105.59 139.01 40.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.611 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -64.98 139.52 58.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 0.4 OUTLIER -73.9 112.05 9.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -121.19 0.04 11.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.569 ' O ' ' ND2' ' A' ' 435' ' ' ASN . 0.7 OUTLIER -134.28 -69.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 111.033 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.569 ' ND2' ' O ' ' A' ' 434' ' ' PHE . 2.7 p30 155.18 -41.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.497 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 28.8 t -147.71 60.03 5.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.97 153.25 41.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 9.8 m-30 -103.25 149.69 24.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.568 HD11 HG21 ' A' ' 428' ' ' ILE . 3.7 tt -132.46 118.09 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.546 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 1.9 t-160 -92.93 121.8 34.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.572 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.915 ' CE1' HG11 ' A' ' 469' ' ' VAL . 7.2 p90 -124.65 151.24 45.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.586 ' O ' HD22 ' A' ' 477' ' ' LEU . 2.4 ttt180 -152.2 121.29 3.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.97 18.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -52.21 104.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 104.95 6.46 39.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.123 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -110.21 -150.2 12.66 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.88 154.54 46.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.53 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 36.6 m95 -69.05 157.2 37.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 449' ' ' THR . . . . . 0.488 HG22 ' H ' ' A' ' 450' ' ' ALA . 1.4 m -77.6 -175.81 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.488 ' H ' HG22 ' A' ' 449' ' ' THR . . . -77.8 95.54 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.65 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.23 139.26 65.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.607 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.94 120.37 6.58 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.977 -2.509 . . . . 0.0 111.028 -0.058 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.65 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.79 -137.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.624 HG11 ' HE2' ' A' ' 441' ' ' TYR . 9.9 p -133.28 141.71 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.259 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.72 132.56 52.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 456' ' ' MET . . . . . 0.715 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -76.93 127.88 33.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 457' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 466' ' ' LYS . 14.7 mm-40 -53.9 175.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.3 135.09 33.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.887 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -114.84 103.45 10.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.1 pt-20 -61.43 -14.11 25.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.531 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.1 mm -29.95 -48.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 156.88 43.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.16 48.16 2.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.887 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 6.1 m-85 -129.99 173.6 10.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.715 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -116.64 150.47 38.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.853 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 54.8 mtpt -130.08 146.13 51.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.254 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 0.493 HG21 HD13 ' A' ' 439' ' ' ILE . 0.0 OUTLIER -149.48 128.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 468' ' ' THR . . . . . 0.513 HG23 ' OG1' ' A' ' 427' ' ' THR . 2.5 m -123.99 123.89 41.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.915 HG11 ' CE1' ' A' ' 441' ' ' TYR . 5.6 t -134.63 137.68 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -85.55 146.33 26.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.846 HD11 ' CG2' ' A' ' 500' ' ' THR . 7.7 pt -123.31 -0.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.649 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -17.51 114.08 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.5 t 99.15 -9.34 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 0.605 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -114.27 135.09 54.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.53 -10.98 57.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -154.87 163.78 39.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.976 ' C ' HD13 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -142.73 141.12 31.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.579 ' N ' HD22 ' A' ' 477' ' ' LEU . 0.4 OUTLIER -96.63 147.56 23.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.847 ' HB3' ' CE1' ' A' ' 498' ' ' PHE . . . -137.91 155.88 48.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 480' ' ' ALA . . . . . 1.011 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -145.06 148.71 33.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.576 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 4.9 t80 -110.27 145.45 37.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.47 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.4 OUTLIER -161.3 136.63 7.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.567 ' HB3' ' CE1' ' A' ' 434' ' ' PHE . 4.7 p-10 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 495' ' ' ASN . . . . . 1.011 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 0.926 ' CD1' HD11 ' A' ' 516' ' ' ILE . 71.0 m-85 -77.33 155.35 32.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 497' ' ' SER . . . . . 0.462 ' C ' ' CD1' ' A' ' 498' ' ' PHE . 17.2 t -125.91 138.23 53.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 498' ' ' PHE . . . . . 0.847 ' CE1' ' HB3' ' A' ' 479' ' ' ALA . 0.5 OUTLIER -140.78 140.04 34.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.564 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -92.93 147.29 22.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.988 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.846 ' CG2' HD11 ' A' ' 471' ' ' ILE . 32.2 p -25.21 136.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 130.02 -147.47 18.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.839 HG23 ' HB ' ' A' ' 427' ' ' THR . 7.4 m -129.61 138.32 51.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 0.775 . . . . 0.0 110.39 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 59.7 p -135.32 149.6 49.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.058 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.447 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 5.2 m -108.42 138.91 43.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 505' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 2.4 t80 -118.63 124.29 47.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.843 HG23 ' HD2' ' A' ' 507' ' ' PRO . 1.6 m -132.79 148.42 69.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 507' ' ' PRO . . . . . 0.843 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 515' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 506' ' ' THR . 0.8 OUTLIER -94.15 141.97 27.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.421 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 0.926 HD11 ' CD1' ' A' ' 496' ' ' TYR . 2.7 mt -122.36 139.36 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 517' ' ' THR . . . . . 0.447 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.0 OUTLIER -129.66 161.57 30.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.415 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 12.4 m -105.82 93.63 4.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 124.0 133.99 4.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.535 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -58.73 156.31 25.25 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.519 1.8 . . . . 0.0 110.976 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.494 ' CG ' HG21 ' A' ' 500' ' ' THR . 15.5 m-80 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.35 144.81 51.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.516 HG11 HD23 ' A' ' 477' ' ' LEU . 14.0 t -128.78 124.98 62.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 427' ' ' THR . . . . . 0.922 ' HB ' HG23 ' A' ' 502' ' ' THR . 97.8 m -115.24 135.47 54.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.2 mp -133.22 123.27 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.649 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.9 m-30 -114.17 111.29 21.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.597 ' CE1' ' O ' ' A' ' 431' ' ' LYS . 1.3 t80 -107.79 140.64 40.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.597 ' O ' ' CE1' ' A' ' 430' ' ' TYR . 12.4 tmtt? -63.9 140.96 58.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.9 ttmm -78.7 107.48 11.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -122.91 9.61 9.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.645 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 14.2 m-85 -138.87 -59.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.645 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 3.8 t30 143.98 -56.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.487 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 3.2 m -135.33 60.35 38.08 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.487 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.1 Cg_endo -75.03 151.2 39.11 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 7.6 m-85 -102.48 152.42 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.175 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.51 ' CG2' HG12 ' A' ' 467' ' ' ILE . 0.0 OUTLIER -133.96 124.41 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.677 ' O ' ' HB1' ' A' ' 479' ' ' ALA . 1.9 t-160 -92.87 140.84 29.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.974 ' CD1' HG11 ' A' ' 469' ' ' VAL . 10.2 p90 -144.56 151.69 39.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.701 ' C ' HD12 ' A' ' 477' ' ' LEU . 1.0 OUTLIER -157.3 123.96 2.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.76 15.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' ALA . . . . . 0.68 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -52.08 105.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 109.69 -0.61 30.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -102.74 -139.68 10.58 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.94 155.26 47.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.592 ' CZ3' ' HB3' ' A' ' 442' ' ' ARG . 49.0 m95 -68.56 157.28 36.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 108.044 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 449' ' ' THR . . . . . 0.818 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.6 OUTLIER -89.28 159.55 17.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -59.6 94.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.443 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -55.53 128.0 67.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.605 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.93 138.33 55.45 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.043 -2.482 . . . . 0.0 111.016 -0.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.605 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -35.9 -103.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 13.0 p -130.83 152.46 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.751 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -78.06 120.0 22.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 456' ' ' MET . . . . . 0.878 ' HA ' HD13 ' A' ' 467' ' ' ILE . 0.0 OUTLIER -52.75 117.55 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.053 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 457' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 1.7 mt-30 -52.64 174.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.62 135.65 35.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.862 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -113.96 104.92 12.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.3 pt-20 -60.36 -14.27 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.554 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.8 mm -31.14 -47.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.9 OUTLIER 155.22 44.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.17 47.09 2.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.862 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.5 m-85 -127.71 -176.98 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.754 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.837 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -127.11 147.17 50.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.839 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 47.2 mtpt -127.04 148.61 50.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 0.878 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.3 tp -150.3 133.0 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 468' ' ' THR . . . . . 0.565 HG23 ' OG1' ' A' ' 427' ' ' THR . 2.5 m -126.4 123.41 37.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.974 HG11 ' CD1' ' A' ' 441' ' ' TYR . 3.4 t -131.85 134.82 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -85.17 146.05 27.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.872 HD11 ' CG2' ' A' ' 500' ' ' THR . 10.9 pt -132.12 23.65 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.658 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -48.53 83.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.658 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.9 m 146.13 -14.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 0.68 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -124.22 132.57 53.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -7.58 53.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 476' ' ' GLN . . . . . 0.416 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 15.9 mt-30 -152.73 161.47 42.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.701 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -137.23 131.65 32.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 1.3 tt0 -101.24 125.4 47.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.677 ' HB1' ' O ' ' A' ' 440' ' ' HIS . . . -135.08 161.89 34.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -132.84 166.37 22.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 482' ' ' ASN . 5.2 t80 -111.32 141.55 44.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 482' ' ' ASN . 0.4 OUTLIER -160.43 141.95 12.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.559 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 7.2 p-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 495' ' ' ASN . . . . . . . . . . . . . 3.9 p30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 0.504 ' CB ' ' CZ ' ' A' ' 498' ' ' PHE . 28.5 m-85 -110.36 153.39 25.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.4 t -122.1 136.11 54.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 498' ' ' PHE . . . . . 0.728 ' HE2' HG21 ' A' ' 516' ' ' ILE . 3.2 m-85 -138.74 142.28 38.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.508 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -94.0 148.77 21.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.872 ' CG2' HD11 ' A' ' 471' ' ' ILE . 31.7 p -30.2 143.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.15 -144.31 15.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.436 1.085 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.922 HG23 ' HB ' ' A' ' 427' ' ' THR . 3.8 m -130.14 137.91 50.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 110.412 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.69 148.56 52.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.411 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 7.5 m -115.12 138.34 51.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.437 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 505' ' ' TYR . . . . . 0.515 ' CD2' HG12 ' A' ' 516' ' ' ILE . 18.0 t80 -122.63 121.3 36.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 2.9 m -124.28 135.29 26.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 507' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.69 138.4 31.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 110.414 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 0.728 HG21 ' HE2' ' A' ' 498' ' ' PHE . 4.0 mt -123.78 137.7 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 517' ' ' THR . . . . . 0.411 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.8 OUTLIER -126.79 162.44 25.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.43 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 51.1 p -105.17 90.99 3.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 132.98 130.83 3.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.63 156.19 34.71 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.476 ' N ' ' HA2' ' A' ' 472' ' ' GLY . 3.3 m120 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.71 142.46 50.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.471 HG11 HD23 ' A' ' 477' ' ' LEU . 13.0 t -126.55 121.58 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 427' ' ' THR . . . . . 0.905 ' HB ' HG23 ' A' ' 502' ' ' THR . 92.6 m -111.34 131.73 54.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.76 122.81 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.65 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.5 m-30 -113.88 115.41 27.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.632 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 1.4 t80 -107.51 139.62 41.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.54 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.7 OUTLIER -63.33 140.41 58.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.4 ttmm -77.99 113.2 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.81 11.66 6.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.573 1.17 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.563 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 1.1 m-85 -143.05 -65.81 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 0.771 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.563 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 5.1 p30 151.06 -41.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.47 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 90.4 p -149.13 61.47 5.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.956 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.05 147.51 33.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.445 1.761 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.533 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 38.2 m-85 -98.17 151.92 19.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.804 HD13 ' C ' ' A' ' 439' ' ' ILE . 0.0 OUTLIER -131.03 119.24 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.839 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 49.8 t60 -93.48 117.18 29.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.563 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 1.01 ' CE1' HG11 ' A' ' 469' ' ' VAL . 6.3 p90 -131.92 152.46 51.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.655 ' C ' HD12 ' A' ' 477' ' ' LEU . 2.5 ttp180 -150.27 127.07 5.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 132.74 15.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -55.0 98.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 117.62 -3.63 17.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -108.38 -145.78 11.76 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 447' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 448' ' ' TRP . 12.4 t -124.28 -179.01 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 110.002 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.839 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 69.4 m95 -91.48 169.99 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 449' ' ' THR . . . . . 0.671 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.7 OUTLIER -91.11 177.05 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.489 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -73.71 94.2 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.604 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -54.01 132.14 58.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.638 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.03 121.26 7.25 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.004 0.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.638 ' C ' ' O ' ' A' ' 452' ' ' PRO . . . 10.42 -126.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.44 1.088 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 439' ' ' ILE . 9.8 p -133.97 135.09 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' LYS . . . . . 0.463 ' HE3' ' CB ' ' A' ' 436' ' ' SER . 13.1 tttt -57.75 105.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 456' ' ' MET . . . . . 1.002 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -49.33 129.64 18.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -55.12 174.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.84 135.53 34.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.817 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -111.73 112.36 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.549 ' O ' ' C ' ' A' ' 461' ' ' ILE . 11.6 pt-20 -65.31 -20.38 66.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 462' ' ' SER . 0.9 OUTLIER -28.11 -46.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.0 OUTLIER 154.45 58.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 79.96 52.31 4.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.792 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.1 m-85 -130.05 -174.73 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 1.002 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -127.12 150.35 49.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.817 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 48.7 mtpt -130.47 147.13 52.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 0.996 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.2 tp -150.98 130.12 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 468' ' ' THR . . . . . 0.602 HG23 ' OG1' ' A' ' 427' ' ' THR . 1.7 m -126.52 122.5 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 1.01 HG11 ' CE1' ' A' ' 441' ' ' TYR . 3.5 t -132.69 134.65 58.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -84.23 145.21 28.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.918 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 38.6 pt -123.86 -37.62 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.476 ' HA2' ' N ' ' A' ' 424' ' ' ASN . . . 36.17 -93.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -52.32 -14.45 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 0.918 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -106.3 127.31 53.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.75 -10.47 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 476' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 16.5 mt-30 -154.17 162.56 41.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.655 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -138.85 127.59 23.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 13.7 tt0 -103.65 126.95 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.756 ' HB1' HD11 ' A' ' 439' ' ' ILE . . . -147.22 163.18 37.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 480' ' ' ALA . . . . . 0.695 ' HB2' ' CG ' ' A' ' 495' ' ' ASN . . . -134.77 169.33 17.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.632 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.0 OUTLIER -107.88 143.9 35.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.521 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.7 OUTLIER -160.03 135.93 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.485 ' HB3' ' CE1' ' A' ' 434' ' ' PHE . 11.6 p-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 495' ' ' ASN . . . . . 0.695 ' CG ' ' HB2' ' A' ' 480' ' ' ALA . 2.5 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 0.819 ' CD1' HD11 ' A' ' 516' ' ' ILE . 83.3 m-85 -96.1 151.5 19.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 12.0 t -107.75 135.65 48.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -128.08 147.84 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.518 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -108.73 148.76 29.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.765 HG22 HD11 ' A' ' 471' ' ' ILE . 48.3 p -28.97 142.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 119.74 -146.75 18.07 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.905 HG23 ' HB ' ' A' ' 427' ' ' THR . 4.3 m -128.77 136.24 50.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.786 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.11 148.24 51.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.438 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 4.9 m -107.62 138.67 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 505' ' ' TYR . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 481' ' ' PHE . 29.1 t80 -122.5 122.31 38.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.785 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.3 m -128.3 147.25 62.91 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 110.422 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 507' ' ' PRO . . . . . 0.785 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.89 137.99 31.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 0.735 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 0.819 HD11 ' CD1' ' A' ' 496' ' ' TYR . 6.1 mt -123.62 138.3 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 517' ' ' THR . . . . . 0.438 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.0 OUTLIER -130.0 162.07 29.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.375 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 58.1 m -105.07 92.38 4.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.27 129.28 3.13 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.505 ' CB ' ' CD2' ' A' ' 429' ' ' TYR . . . -59.94 153.37 55.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 521' ' ' PRO . . . . . 0.407 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.62 ' HB3' HG22 ' A' ' 500' ' ' THR . 12.4 m-80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.557 ' HG2' HG22 ' A' ' 468' ' ' THR . 2.1 tttt -129.02 154.29 46.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.426 HG21 HG21 ' A' ' 471' ' ' ILE . 4.8 t -130.7 125.55 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 427' ' ' THR . . . . . 0.773 ' HB ' HG23 ' A' ' 502' ' ' THR . 40.9 m -108.24 136.57 47.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -132.72 122.06 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.704 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.1 m-30 -114.51 110.58 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.602 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 16.4 t80 -106.59 140.24 39.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.536 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 13.0 tmtt? -62.83 141.66 58.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.7 ttmt -74.29 116.39 14.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.59 8.52 6.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.57 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 1.4 m-85 -143.4 -66.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 5.3 p30 150.89 -30.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.488 ' O ' ' CG ' ' A' ' 455' ' ' LYS . 94.1 p -163.99 59.98 0.81 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.485 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -74.97 150.89 38.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.618 ' CD2' ' HB2' ' A' ' 452' ' ' PRO . 49.6 m-85 -94.52 151.66 19.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.802 HD13 ' N ' ' A' ' 440' ' ' HIS . 0.0 OUTLIER -133.25 124.72 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.802 ' N ' HD13 ' A' ' 439' ' ' ILE . 1.0 OUTLIER -94.92 120.68 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.611 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.999 ' CD1' HG11 ' A' ' 469' ' ' VAL . 5.3 p90 -122.78 152.66 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.537 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.2 ttt180 -155.84 123.71 2.84 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 134.6 18.08 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.33 102.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 109.46 1.73 31.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -106.43 -146.34 13.54 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.78 155.07 49.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 109.99 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.707 ' HB3' ' HE1' ' A' ' 440' ' ' HIS . 38.7 m95 -70.24 156.31 39.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 107.994 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 449' ' ' THR . . . . . 0.778 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 2.5 p -76.58 -173.5 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.544 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -89.33 94.27 9.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.423 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -52.61 126.81 40.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.634 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.2 Cg_endo -75.01 144.06 79.76 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.018 -0.042 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.634 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -43.76 -113.21 0.0 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 439' ' ' ILE . 9.7 p -130.57 143.4 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 455' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 436' ' ' SER . 0.0 OUTLIER -71.75 110.41 6.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 456' ' ' MET . . . . . 0.954 ' HA ' HD13 ' A' ' 467' ' ' ILE . 22.9 mtm -44.78 118.73 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 457' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 466' ' ' LYS . 1.9 mt-30 -49.23 175.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.87 133.99 34.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.841 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -112.7 105.31 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.51 ' O ' ' C ' ' A' ' 461' ' ' ILE . 12.9 pt-20 -59.76 -14.74 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.56 ' O ' ' CB ' ' A' ' 462' ' ' SER . 3.8 mm -30.61 -47.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 154.46 44.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.51 46.48 2.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.82 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.3 m-85 -125.95 -179.75 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.861 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.68 144.79 50.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.841 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 50.4 mtpt -124.08 146.31 48.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 0.954 HD13 ' HA ' ' A' ' 456' ' ' MET . 2.7 tp -150.88 133.32 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 468' ' ' THR . . . . . 0.611 HG23 ' OG1' ' A' ' 427' ' ' THR . 1.4 m -125.42 124.62 41.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.999 HG11 ' CD1' ' A' ' 441' ' ' TYR . 4.0 t -131.2 135.64 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 470' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 425' ' ' LYS . 4.2 t70 -85.03 147.1 26.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.867 HD11 ' CG2' ' A' ' 500' ' ' THR . 27.8 pt -123.71 -1.16 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.646 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -12.96 111.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.646 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 3.4 t 99.3 -10.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 0.708 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -119.62 140.06 51.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 475' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 476' ' ' GLN . 0.1 OUTLIER -89.61 -12.5 39.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 476' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 475' ' ' SER . 26.2 mt-30 -150.43 161.87 41.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -141.31 136.57 31.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.573 ' O ' ' CH2' ' A' ' 448' ' ' TRP . 1.0 OUTLIER -102.17 127.5 49.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.793 ' HB1' HD11 ' A' ' 439' ' ' ILE . . . -142.16 164.84 29.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 480' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 439' ' ' ILE . . . -139.16 165.68 26.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.602 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.6 t80 -109.72 143.7 39.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.501 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 2.8 p30 -162.95 136.46 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.557 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 25.5 p-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 495' ' ' ASN . . . . . 0.555 ' HB3' ' CG ' ' A' ' 478' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 0.888 ' CE1' HD11 ' A' ' 516' ' ' ILE . 54.7 m-85 -93.21 157.21 16.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 497' ' ' SER . . . . . 0.473 ' CB ' ' OE2' ' A' ' 478' ' ' GLU . 0.0 OUTLIER -130.14 133.94 46.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 498' ' ' PHE . . . . . 0.463 ' HE1' ' HB3' ' A' ' 479' ' ' ALA . 0.4 OUTLIER -132.99 138.24 46.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.527 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -96.24 151.82 19.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.867 ' CG2' HD11 ' A' ' 471' ' ' ILE . 32.6 p -27.65 138.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 124.89 -145.63 15.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.773 HG23 ' HB ' ' A' ' 427' ' ' THR . 7.6 m -129.68 139.43 51.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 110.373 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.77 148.39 50.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 516' ' ' ILE . 4.2 m -114.72 138.3 50.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -121.38 123.26 41.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.812 HG23 ' HD2' ' A' ' 507' ' ' PRO . 1.8 m -127.08 147.67 62.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 507' ' ' PRO . . . . . 0.812 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.549 1.815 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.09 137.93 32.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 0.888 HD11 ' CE1' ' A' ' 496' ' ' TYR . 1.0 OUTLIER -123.37 138.08 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.48 161.95 26.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.414 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 17.6 p -105.74 91.81 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 133.03 132.99 3.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.133 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.18 156.61 27.01 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.773 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.534 ' CG ' HG21 ' A' ' 500' ' ' THR . 3.5 m-80 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -129.97 148.98 51.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.487 ' CG2' HD13 ' A' ' 471' ' ' ILE . 5.8 t -134.43 119.96 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 427' ' ' THR . . . . . 0.931 ' HB ' HG23 ' A' ' 502' ' ' THR . 0.2 OUTLIER -106.47 137.09 45.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 428' ' ' ILE . . . . . 0.498 ' HB ' ' CG2' ' A' ' 467' ' ' ILE . 2.8 mt -129.56 125.73 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.627 ' CE2' ' HD2' ' A' ' 466' ' ' LYS . 5.6 m-85 -114.64 109.41 18.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.619 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 10.9 t80 -107.67 138.35 44.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 140.68 58.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.5 ttmm -73.97 110.6 8.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -117.2 -15.12 6.72 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 483' ' ' ASP . 0.2 OUTLIER -120.44 -67.12 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.973 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.8 p30 151.79 -33.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.497 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 60.7 p -157.24 59.93 1.91 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.01 160.6 39.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.809 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 20.4 m-85 -107.25 146.42 31.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 480' ' ' ALA . 1.5 tp -130.0 119.21 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 480' ' ' ALA . 1.9 t-160 -92.21 116.83 29.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.553 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.942 ' CG ' HG21 ' A' ' 469' ' ' VAL . 11.7 p90 -121.94 139.26 53.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.734 ' C ' HD12 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -138.16 123.56 12.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 133.27 16.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -55.32 100.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 111.54 2.01 27.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -115.2 -157.76 11.6 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 3.7 m -110.87 168.45 9.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.028 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.562 ' CD2' ' HB2' ' A' ' 442' ' ' ARG . 52.3 m95 -89.91 154.2 20.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 108.031 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 449' ' ' THR . . . . . 0.472 ' O ' ' NE2' ' A' ' 440' ' ' HIS . 0.6 OUTLIER -68.27 -176.96 0.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.32 104.94 16.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.641 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -56.82 139.06 77.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.635 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.2 Cg_endo -74.98 120.74 6.85 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 120.994 -2.502 . . . . 0.0 111.003 -0.002 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.641 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 13.94 -127.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.878 ' CG1' HD11 ' A' ' 467' ' ' ILE . 0.3 OUTLIER -133.62 141.5 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -60.32 115.41 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 456' ' ' MET . . . . . 0.889 ' HA ' HD13 ' A' ' 467' ' ' ILE . 5.9 mtt -66.51 121.67 15.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 457' ' ' GLN . . . . . 0.453 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 13.3 mm100 -53.63 175.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.06 132.12 41.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.725 ' HB3' ' CB ' ' A' ' 464' ' ' TYR . . . -105.11 106.82 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 461' ' ' ILE . 15.9 pt-20 -56.08 -16.71 5.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.654 HD12 ' HB1' ' A' ' 459' ' ' ALA . 1.4 mt -32.32 -45.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 157.24 56.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 78.56 52.33 5.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.725 ' CB ' ' HB3' ' A' ' 459' ' ' ALA . 1.6 m-85 -122.64 -172.97 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.884 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -128.48 142.75 50.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.627 ' HD2' ' CE2' ' A' ' 429' ' ' TYR . 0.6 OUTLIER -125.01 143.9 50.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.335 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 0.889 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.4 tp -153.4 128.1 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 468' ' ' THR . . . . . 0.52 HG23 HG23 ' A' ' 427' ' ' THR . 2.6 m -119.84 119.12 32.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.942 HG21 ' CG ' ' A' ' 441' ' ' TYR . 71.5 t -124.25 128.68 73.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -85.91 146.49 26.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 1.075 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 12.4 pt -118.23 -9.69 11.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 63.32 -89.03 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.56 -19.69 13.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.006 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 1.075 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -49.1 121.02 4.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.34 -13.51 61.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -154.92 162.93 40.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.734 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.1 OUTLIER -143.53 144.65 32.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 1.4 mt-10 -96.16 148.42 22.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 1.051 ' HB3' ' CE1' ' A' ' 498' ' ' PHE . . . -136.43 156.89 47.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 480' ' ' ALA . . . . . 0.583 ' O ' HD12 ' A' ' 439' ' ' ILE . . . -146.78 153.58 40.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.619 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 8.6 t80 -111.97 147.97 34.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.459 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.1 OUTLIER -155.4 153.04 29.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 0.0 109.261 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 434' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 495' ' ' ASN . . . . . 0.477 ' N ' HD21 ' A' ' 495' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 0.587 ' CD1' HD11 ' A' ' 516' ' ' ILE . 4.7 m-85 -90.7 162.52 14.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 497' ' ' SER . . . . . 0.403 ' C ' ' CD1' ' A' ' 498' ' ' PHE . 10.0 t -126.92 139.51 53.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.978 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 498' ' ' PHE . . . . . 1.051 ' CE1' ' HB3' ' A' ' 479' ' ' ALA . 5.7 m-85 -137.72 156.74 47.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.505 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -115.92 152.18 33.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.99 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.99 HG22 HD11 ' A' ' 471' ' ' ILE . 23.0 p -30.38 143.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 118.4 -148.44 18.48 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.959 HG21 ' HB2' ' A' ' 520' ' ' ALA . 35.4 m -125.43 139.81 53.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 0.777 . . . . 0.0 110.388 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.6 p -133.53 146.27 50.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.447 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 1.4 m -107.8 139.73 41.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.391 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 505' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 481' ' ' PHE . 27.6 t80 -123.14 127.88 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.682 HG23 ' HD2' ' A' ' 507' ' ' PRO . 3.7 m -136.61 145.72 52.49 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.368 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 507' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.12 137.86 32.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 110.439 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 0.587 HD11 ' CD1' ' A' ' 496' ' ' TYR . 5.8 mt -123.97 139.05 51.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 517' ' ' THR . . . . . 0.447 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.6 OUTLIER -127.7 162.61 26.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 3.2 m -105.93 93.16 4.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 138.34 129.89 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.959 ' HB2' HG21 ' A' ' 502' ' ' THR . . . -60.22 156.73 37.66 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 521' ' ' PRO . . . . . 0.491 ' HD2' ' CD2' ' A' ' 429' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.577 ' HB3' HG22 ' A' ' 500' ' ' THR . 25.5 m120 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.577 ' HE2' HG22 ' A' ' 468' ' ' THR . 0.0 OUTLIER -128.75 145.5 51.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 500' ' ' THR . 12.9 t -127.77 127.73 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 427' ' ' THR . . . . . 0.886 ' HB ' HG23 ' A' ' 502' ' ' THR . 38.0 m -114.74 134.42 55.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.415 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -133.0 123.09 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.718 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 18.2 m-30 -115.15 112.38 22.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.567 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 10.9 t80 -106.53 139.67 40.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.577 ' HD2' ' CE1' ' A' ' 464' ' ' TYR . 2.2 tttm -64.08 140.56 58.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 5.3 ttmt -73.84 109.76 7.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -125.63 13.22 7.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.6 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 7.5 m-85 -147.17 -61.57 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 6.3 p30 148.39 -55.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.495 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 5.8 m -138.67 60.21 18.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.02 147.89 34.46 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.451 ' O ' ' ND2' ' A' ' 482' ' ' ASN . 48.8 m-85 -98.79 154.02 18.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.855 HD11 ' HB1' ' A' ' 479' ' ' ALA . 0.0 OUTLIER -132.02 120.39 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.768 ' N ' HD13 ' A' ' 439' ' ' ILE . 6.7 t-160 -91.27 117.32 29.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 0.858 ' CD1' HG11 ' A' ' 469' ' ' VAL . 12.1 p90 -126.17 152.92 45.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.748 ' C ' HD12 ' A' ' 477' ' ' LEU . 2.4 ttt180 -153.82 124.76 3.53 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 134.09 17.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.802 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' ALA . . . . . 0.588 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -53.33 102.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 105.92 5.42 38.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -109.2 -149.22 13.12 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.81 160.43 29.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.54 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 55.6 m95 -74.55 157.49 35.39 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 449' ' ' THR . . . . . 0.639 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -79.17 -172.9 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.418 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -83.81 95.29 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.663 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -56.09 138.25 73.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.609 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.99 119.04 5.69 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.025 0.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.663 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.62 -131.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 5.3 p -131.35 134.35 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -58.1 106.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 456' ' ' MET . . . . . 0.933 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 17.4 mtt -49.77 126.28 13.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -54.82 173.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.57 131.75 34.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.813 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -109.36 103.41 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 461' ' ' ILE . 14.9 pt-20 -58.41 -15.54 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.568 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -29.33 -47.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.9 OUTLIER 153.95 44.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.96 48.07 2.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.813 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.7 m-85 -128.64 179.27 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.933 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.17 145.78 49.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.803 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 50.9 mtpt -126.15 145.88 50.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 0.929 HD13 ' HA ' ' A' ' 456' ' ' MET . 2.4 tp -151.46 129.48 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 468' ' ' THR . . . . . 0.577 HG22 ' HE2' ' A' ' 425' ' ' LYS . 2.4 m -122.4 124.17 43.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.858 HG11 ' CD1' ' A' ' 441' ' ' TYR . 27.0 t -128.3 132.98 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 470' ' ' ASP . . . . . 0.408 ' CA ' ' HE3' ' A' ' 425' ' ' LYS . 8.2 t70 -84.23 145.51 28.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.845 HD11 ' CG2' ' A' ' 500' ' ' THR . 13.7 pt -131.15 28.13 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.644 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -52.0 78.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.5 m 147.38 -12.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 0.588 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -123.04 138.29 54.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.82 -6.81 59.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -153.54 162.23 41.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.748 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.8 OUTLIER -137.75 128.4 26.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.567 ' OE2' ' N ' ' A' ' 479' ' ' ALA . 4.5 tp10 -102.32 129.3 48.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.855 ' HB1' HD11 ' A' ' 439' ' ' ILE . . . -147.65 164.18 34.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 480' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -137.43 169.65 17.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.567 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.5 t80 -109.0 143.25 38.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.471 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 2.7 p30 -162.04 136.28 6.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 434' ' ' PHE . 28.8 p-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 495' ' ' ASN . . . . . 0.512 ' HB2' ' CD ' ' A' ' 478' ' ' GLU . 47.3 p-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 0.812 ' CE1' HD11 ' A' ' 516' ' ' ILE . 33.0 m-85 -107.66 145.39 33.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 3.9 t -118.72 145.39 45.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -142.48 139.22 31.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -96.42 151.34 19.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.992 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.845 ' CG2' HD11 ' A' ' 471' ' ' ILE . 34.5 p -26.83 138.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.25 -147.74 16.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.886 HG23 ' HB ' ' A' ' 427' ' ' THR . 6.7 m -130.43 137.94 50.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.386 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.8 p -134.15 148.03 50.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 516' ' ' ILE . 3.3 m -110.09 139.12 45.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -122.1 127.08 49.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.78 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.4 m -133.11 147.34 64.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.415 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 507' ' ' PRO . . . . . 0.78 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.79 139.21 31.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 110.415 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 0.812 HD11 ' CE1' ' A' ' 496' ' ' TYR . 2.3 mt -123.67 138.87 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.39 162.29 27.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 2.7 m -106.28 92.81 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 127.75 133.35 3.73 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.434 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.06 156.35 27.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.432 1.754 . . . . 0.0 110.965 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 424' ' ' ASN . . . . . 0.596 ' HB3' HG22 ' A' ' 500' ' ' THR . 35.4 m120 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.425 ' HD2' HG22 ' A' ' 468' ' ' THR . 2.4 tppt? -129.22 144.31 51.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 426' ' ' VAL . . . . . 0.529 ' CG2' HD13 ' A' ' 471' ' ' ILE . 9.2 t -126.18 125.67 68.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 427' ' ' THR . . . . . 0.926 ' HB ' HG23 ' A' ' 502' ' ' THR . 60.3 m -113.76 136.76 52.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 428' ' ' ILE . . . . . 0.541 HG21 HD11 ' A' ' 439' ' ' ILE . 1.2 mp -132.77 122.78 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 429' ' ' TYR . . . . . 0.737 ' CE1' HG22 ' A' ' 427' ' ' THR . 16.4 m-30 -114.1 110.82 20.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 430' ' ' TYR . . . . . 0.5 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.0 t80 -106.65 139.76 40.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.51 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.3 OUTLIER -64.47 142.05 58.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 432' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 4.2 ttmt -77.79 108.09 10.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -122.47 8.17 9.58 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 434' ' ' PHE . . . . . 0.596 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 13.9 m-85 -140.13 -61.92 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.783 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 435' ' ' ASN . . . . . 0.596 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 10.5 m-20 148.39 -60.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.358 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 436' ' ' SER . . . . . 0.458 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 86.0 p -132.82 61.85 58.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.97 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.05 156.78 42.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.549 1.815 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.446 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 19.9 m-85 -105.42 150.6 25.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.993 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.716 HD13 HG21 ' A' ' 467' ' ' ILE . 2.2 tt -133.27 123.09 46.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 440' ' ' HIS . . . . . 0.64 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 0.7 OUTLIER -95.39 126.68 40.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.602 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 441' ' ' TYR . . . . . 1.004 ' CD1' HG11 ' A' ' 469' ' ' VAL . 9.5 p90 -127.22 152.06 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.505 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 0.3 OUTLIER -156.37 125.11 2.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 443' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.4 Cg_endo -74.99 133.81 17.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.561 1.822 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -50.54 108.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 105.62 0.44 39.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.098 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -105.89 -137.83 8.98 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.3 154.8 40.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 109.984 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 448' ' ' TRP . . . . . 0.505 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 98.4 m95 -67.77 157.86 33.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 107.984 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 449' ' ' THR . . . . . 0.818 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 2.1 p -81.84 -177.21 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -74.1 96.27 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 451' ' ' ALA . . . . . 0.64 ' HB2' ' HE1' ' A' ' 440' ' ' HIS . . . -54.1 126.03 51.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.607 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.02 135.71 41.8 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.982 -2.508 . . . . 0.0 110.994 0.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 453' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -34.93 -103.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.983 HG11 HD11 ' A' ' 467' ' ' ILE . 2.6 p -131.56 147.7 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.787 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -75.26 120.21 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 456' ' ' MET . . . . . 0.924 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.2 OUTLIER -51.5 121.28 6.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 457' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 466' ' ' LYS . 1.0 OUTLIER -55.2 174.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.74 135.65 33.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 459' ' ' ALA . . . . . 0.81 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -115.54 102.37 9.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.55 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.0 pt-20 -58.19 -15.39 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 461' ' ' ILE . . . . . 0.562 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.5 mm -28.77 -47.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 462' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.5 m 154.92 44.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 463' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.54 47.39 2.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.81 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 4.2 m-85 -128.19 178.88 5.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.924 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -123.11 147.15 47.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.806 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 51.4 mtpt -128.79 144.34 51.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 467' ' ' ILE . . . . . 0.983 HD11 HG11 ' A' ' 454' ' ' VAL . 0.1 OUTLIER -151.76 128.99 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 468' ' ' THR . . . . . 0.752 HG23 ' OG1' ' A' ' 427' ' ' THR . 2.5 m -125.03 128.19 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 1.004 HG11 ' CD1' ' A' ' 441' ' ' TYR . 2.2 t -133.33 135.59 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -84.57 146.12 27.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.933 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 14.8 pt -119.31 -9.3 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.667 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . -3.03 108.18 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 473' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 4.7 t 100.8 -11.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 474' ' ' ALA . . . . . 0.933 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -113.87 136.16 53.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.74 -10.54 53.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -154.7 161.24 41.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.859 ' C ' HD23 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -142.62 142.68 32.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 478' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 0.1 OUTLIER -99.04 132.63 44.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 479' ' ' ALA . . . . . 0.67 ' HB3' ' HE2' ' A' ' 498' ' ' PHE . . . -123.65 161.21 25.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 480' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -147.31 156.73 43.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 481' ' ' PHE . . . . . 0.5 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 9.3 t80 -110.34 149.08 30.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 482' ' ' ASN . . . . . 0.453 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.0 OUTLIER -157.63 157.84 34.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.5 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 495' ' ' ASN . . . . . 0.688 ' N ' HD21 ' A' ' 495' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 496' ' ' TYR . . . . . 0.831 ' CE1' HD11 ' A' ' 516' ' ' ILE . 23.6 m-85 -95.33 155.6 16.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 497' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 0.0 OUTLIER -129.07 133.23 47.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.031 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 498' ' ' PHE . . . . . 0.94 ' CE1' HG21 ' A' ' 516' ' ' ILE . 10.5 m-85 -135.89 151.86 50.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 499' ' ' SER . . . . . 0.542 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.1 OUTLIER -104.92 150.91 24.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 500' ' ' THR . . . . . 0.829 HG22 HD11 ' A' ' 471' ' ' ILE . 39.8 p -26.87 138.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.6 -147.62 16.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.926 HG23 ' HB ' ' A' ' 427' ' ' THR . 5.3 m -127.9 138.78 52.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 110.429 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.32 148.38 52.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.99 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 504' ' ' THR . . . . . 0.427 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 2.8 m -110.92 138.43 47.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.386 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 505' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 28.8 t80 -120.75 126.96 51.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.72 HG23 ' HD2' ' A' ' 507' ' ' PRO . 3.7 m -133.47 146.41 60.51 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.418 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 507' ' ' PRO . . . . . 0.72 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.543 1.812 . . . . 0.0 111.051 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.02 138.29 31.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 516' ' ' ILE . . . . . 0.94 HG21 ' CE1' ' A' ' 498' ' ' PHE . 2.9 mt -124.06 138.8 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 517' ' ' THR . . . . . 0.427 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.3 OUTLIER -128.72 162.3 27.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 56.8 p -105.98 93.0 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.49 131.11 3.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 520' ' ' ALA . . . . . 0.51 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -58.89 155.99 28.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.938 -179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -175.27 -179.83 46.06 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 8.1 m -60.83 -36.35 78.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 110.454 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 72.34 81.65 0.33 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.514 ' CG ' HG21 ' A' ' 500' ' ' THR . 5.4 m-80 -110.35 162.27 14.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 0.735 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.42 147.38 51.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.866 HG22 ' HA ' ' A' ' 500' ' ' THR . 27.8 t -131.47 122.57 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 427' ' ' THR . . . . . 0.918 ' HB ' HG23 ' A' ' 502' ' ' THR . 32.2 m -108.86 135.42 50.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.372 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 428' ' ' ILE . . . . . 0.473 HG22 ' CE ' ' A' ' 456' ' ' MET . 1.5 mt -131.93 123.46 51.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.708 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.3 m-30 -113.58 111.75 22.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.602 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 3.2 t80 -106.21 138.98 41.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -64.74 140.26 58.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 1.6 ttmm -77.83 104.22 8.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -114.96 -3.96 21.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.571 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 0.8 OUTLIER -128.95 -63.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 111.015 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.8 p30 150.57 -48.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.464 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 11.1 p -140.47 61.39 16.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.2 Cg_endo -74.98 148.3 35.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.58 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 11.7 m-30 -100.55 151.01 22.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.579 HG21 ' HG2' ' A' ' 456' ' ' MET . 0.0 OUTLIER -131.49 119.28 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.812 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 1.6 t-160 -96.42 119.69 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.583 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.865 ' CD1' HG11 ' A' ' 469' ' ' VAL . 7.6 p90 -123.78 150.99 43.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.651 ' C ' HD12 ' A' ' 477' ' ' LEU . 2.7 ttt180 -147.1 122.9 5.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 443' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.1 Cg_endo -75.0 132.81 15.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 444' ' ' ALA . . . . . 0.505 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -51.76 105.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 102.52 7.77 44.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -114.07 -154.88 11.24 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.06 157.21 30.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.523 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 43.5 m95 -70.04 160.5 31.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.035 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 449' ' ' THR . . . . . 0.427 ' N ' ' HE2' ' A' ' 440' ' ' HIS . 0.2 OUTLIER -78.05 -179.92 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.373 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -74.04 94.16 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.812 ' HB2' ' HE1' ' A' ' 440' ' ' HIS . . . -55.46 139.5 67.0 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.0 119.98 6.34 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.018 0.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.655 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 18.33 -135.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.59 HG11 ' HE2' ' A' ' 441' ' ' TYR . 9.9 p -133.62 141.56 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.48 121.2 12.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' MET . . . . . 0.981 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -67.91 128.64 37.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.3 174.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.25 135.8 33.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.846 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -112.81 103.48 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.541 ' O ' ' C ' ' A' ' 461' ' ' ILE . 26.3 pt-20 -58.66 -15.51 12.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.549 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -29.12 -48.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.2 m 155.65 45.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.74 46.27 2.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.138 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.838 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.8 m-85 -127.42 -178.36 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.981 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -125.43 150.61 47.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.846 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 48.7 mtpt -128.98 148.3 50.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 0.906 HD13 ' HA ' ' A' ' 456' ' ' MET . 5.0 tp -150.27 132.15 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 468' ' ' THR . . . . . 0.508 HG23 ' OG1' ' A' ' 427' ' ' THR . 1.4 m -124.5 120.94 33.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.865 HG11 ' CD1' ' A' ' 441' ' ' TYR . 15.8 t -129.53 134.55 63.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -89.15 144.74 25.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.884 HD11 ' CG2' ' A' ' 500' ' ' THR . 10.4 pt -129.38 25.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.646 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -49.5 80.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.646 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.2 m 147.3 -14.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -122.17 136.82 54.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -8.33 58.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -154.6 161.95 41.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.651 HD23 HG11 ' A' ' 426' ' ' VAL . 0.2 OUTLIER -141.95 142.65 33.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 20.6 mt-10 -97.69 148.87 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.664 ' HB3' ' HE2' ' A' ' 498' ' ' PHE . . . -134.67 158.58 43.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 480' ' ' ALA . . . . . 0.505 ' O ' HG12 ' A' ' 439' ' ' ILE . . . -146.36 146.74 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.602 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 4.1 t80 -108.38 142.09 39.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.442 ' OD1' ' CE3' ' A' ' 488' ' ' TRP . 0.5 OUTLIER -161.15 135.3 6.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.521 ' HB3' ' CE1' ' A' ' 434' ' ' PHE . 9.6 p-10 -71.31 -10.23 59.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.489 ' HA3' ' CE2' ' A' ' 438' ' ' TYR . . . 86.7 -16.23 47.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.71 -81.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -159.51 19.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 487' ' ' ASN . . . . . 0.427 ' O ' ' OD1' ' A' ' 483' ' ' ASP . 42.3 m-80 -123.13 119.8 31.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 488' ' ' TRP . . . . . 0.442 ' CE3' ' OD1' ' A' ' 482' ' ' ASN . 7.4 m0 -114.13 175.68 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 108.004 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.62 99.38 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.667 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.5 OUTLIER -133.37 119.1 19.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.557 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 0.2 OUTLIER 28.75 42.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.557 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 4.4 t-20 85.96 -45.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.667 ' N ' ' O ' ' A' ' 490' ' ' SER . 5.4 t -179.12 45.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.378 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 495' ' ' ASN . 8.6 mttt -148.18 -75.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 0.455 ' HB3' ' O ' ' A' ' 494' ' ' LYS . 8.1 p-10 160.75 140.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 0.816 ' CD1' HD11 ' A' ' 516' ' ' ILE . 48.5 m-85 -82.42 158.74 23.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 497' ' ' SER . . . . . 0.537 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 12.0 t -130.67 134.99 47.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 498' ' ' PHE . . . . . 1.042 ' CE1' HG21 ' A' ' 516' ' ' ILE . 13.9 m-85 -141.51 152.84 44.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.502 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -102.54 149.17 24.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.979 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.884 ' CG2' HD11 ' A' ' 471' ' ' ILE . 35.1 p -30.57 145.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.404 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 127.51 -144.05 14.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.918 HG23 ' HB ' ' A' ' 427' ' ' THR . 1.3 m -129.39 134.21 47.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 110.411 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 428' ' ' ILE . 0.1 OUTLIER -133.96 149.28 51.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.447 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 3.2 m -113.23 138.79 49.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 505' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 481' ' ' PHE . 34.3 t80 -118.57 123.06 44.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.776 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.2 m -127.82 146.82 60.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 507' ' ' PRO . . . . . 0.776 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo -74.95 146.24 32.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.545 1.813 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 510' ' ' SER . . . -65.56 79.27 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 509' ' ' ASN . . . . . 0.576 ' O ' ' CB ' ' A' ' 510' ' ' SER . 3.0 m120 -66.92 69.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 0.744 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 510' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 509' ' ' ASN . 1.7 m 153.63 -96.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -133.62 26.83 3.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.12 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 512' ' ' ASN . . . . . 0.435 ' HB2' ' HA2' ' A' ' 508' ' ' GLY . 5.1 m-20 -93.58 161.08 14.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.769 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -121.69 76.17 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 63.64 103.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.66 139.23 31.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 110.399 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 1.042 HG21 ' CE1' ' A' ' 498' ' ' PHE . 3.9 mt -122.71 138.04 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 517' ' ' THR . . . . . 0.447 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.2 OUTLIER -127.14 161.71 27.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 12.5 m -106.53 91.56 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 126.85 134.02 3.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.492 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -58.53 156.0 25.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 521' ' ' PRO . . . . . 0.4 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.4 Cg_endo -75.0 149.63 36.99 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -108.67 53.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.941 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 121.64 -74.14 0.35 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 3.1 m -69.86 115.93 9.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.389 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -159.37 -129.02 1.02 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.102 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.522 ' HB3' HG22 ' A' ' 500' ' ' THR . 8.1 m-80 -87.63 161.1 17.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -129.03 154.06 47.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.256 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.482 HG21 HD13 ' A' ' 471' ' ' ILE . 13.4 t -132.87 124.14 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 427' ' ' THR . . . . . 0.912 ' HB ' HG23 ' A' ' 502' ' ' THR . 41.0 m -107.77 136.2 47.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 428' ' ' ILE . . . . . 0.603 HG21 HD11 ' A' ' 439' ' ' ILE . 1.4 mt -132.69 121.79 45.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.719 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 17.2 m-30 -115.25 110.44 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 111.057 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.601 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 19.2 t80 -105.81 138.77 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.598 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.4 OUTLIER -64.53 140.73 58.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.8 ttmm -74.6 110.11 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -126.4 12.56 7.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.644 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 10.6 m-85 -147.18 -57.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 111.047 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.644 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.6 t30 143.81 -58.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.496 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -133.77 60.09 43.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.496 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.2 Cg_endo -74.99 151.23 39.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.577 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 21.7 m-85 -102.29 152.81 20.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.603 HD11 HG21 ' A' ' 428' ' ' ILE . 4.7 tt -132.09 120.21 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.559 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 7.2 t-160 -92.44 118.48 31.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.591 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.784 ' CD2' HG21 ' A' ' 469' ' ' VAL . 6.0 p90 -128.22 152.67 47.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.523 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.9 ttt180 -151.77 124.04 3.97 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 443' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.4 Cg_endo -75.04 134.84 18.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 444' ' ' ALA . . . . . 0.662 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -53.29 104.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 101.07 9.68 44.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -111.95 -152.39 11.92 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.58 153.75 40.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.523 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 39.1 m95 -68.72 158.73 33.62 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 449' ' ' THR . . . . . 0.642 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -80.05 -174.99 4.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -82.46 95.21 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.652 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.77 138.45 70.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.617 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.2 Cg_endo -75.03 119.66 6.12 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.011 -2.496 . . . . 0.0 110.964 0.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.652 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.94 -131.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.401 HG13 HD11 ' A' ' 467' ' ' ILE . 3.2 p -132.62 141.25 45.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.08 113.83 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' MET . . . . . 0.83 ' HA ' HD13 ' A' ' 467' ' ' ILE . 0.0 OUTLIER -56.15 120.8 8.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 457' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 466' ' ' LYS . 1.2 mt-30 -50.8 175.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.37 133.47 34.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.85 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -114.35 103.08 10.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 461' ' ' ILE . 26.3 pt-20 -59.33 -14.91 13.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.553 ' O ' ' CB ' ' A' ' 462' ' ' SER . 3.7 mm -29.46 -47.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.3 m 154.79 43.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.14 47.99 2.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.85 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 4.3 m-85 -129.27 178.39 6.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.828 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -123.18 145.02 48.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.793 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 48.8 mtpt -124.54 146.37 49.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 0.83 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.8 tp -151.2 129.68 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.3 m -118.42 121.51 40.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.784 HG21 ' CD2' ' A' ' 441' ' ' TYR . 82.7 t -124.65 130.34 73.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.02 144.9 28.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.912 HD11 ' CG2' ' A' ' 500' ' ' THR . 17.3 pt -129.59 26.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.63 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -49.64 80.84 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.63 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.3 m 148.31 -17.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 0.662 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -127.86 141.57 51.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 4.8 m -90.16 3.82 52.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -155.81 149.44 25.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.532 HD11 ' HB2' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -135.27 135.32 40.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 1.9 tt0 -106.29 128.68 54.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -147.25 162.99 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 480' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -136.52 168.71 18.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.601 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.4 t80 -108.98 144.53 36.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.509 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 1.8 p30 -161.72 136.58 7.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 434' ' ' PHE . 27.1 p-10 -66.07 -11.75 50.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.577 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 89.19 -14.34 61.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.7 -83.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -153.94 16.45 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 487' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -118.71 117.73 29.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 488' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -115.93 175.15 5.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 108.045 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 489' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 481' ' ' PHE . 1.4 t0 -156.23 111.22 2.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 492' ' ' ASN . 1.5 p -132.2 175.59 9.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.97 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 54.2 t30 -38.13 -28.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.6 m-20 160.05 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 1.9 t 178.05 28.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 2.6 mttm -145.86 -70.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 494' ' ' LYS . 3.7 p30 153.37 172.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 0.827 ' CE1' HD11 ' A' ' 516' ' ' ILE . 63.6 m-85 -97.78 158.3 15.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.2 t -125.81 139.15 53.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.985 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 498' ' ' PHE . . . . . 0.568 ' HE1' ' HB3' ' A' ' 479' ' ' ALA . 0.3 OUTLIER -138.28 136.29 36.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.547 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -92.57 148.95 21.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.912 ' CG2' HD11 ' A' ' 471' ' ' ILE . 22.6 p -26.35 137.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 128.34 -145.69 16.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.912 HG23 ' HB ' ' A' ' 427' ' ' THR . 7.4 m -129.09 137.9 51.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.426 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 3.6 p -133.26 148.91 51.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.436 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 14.0 m -112.4 138.06 49.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.382 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 505' ' ' TYR . . . . . 0.437 ' HH ' ' HE2' ' A' ' 496' ' ' TYR . 2.8 t80 -119.46 122.95 42.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.808 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.0 m -130.12 147.71 66.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 507' ' ' PRO . . . . . 0.808 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo -75.03 144.26 29.92 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -99.52 -139.73 11.01 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 509' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 1.5 m120 152.17 154.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.1 -86.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -112.56 -13.65 11.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 512' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -94.21 161.52 14.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -165.97 100.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.244 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 63.86 96.59 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.73 139.55 37.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 0.827 HD11 ' CE1' ' A' ' 496' ' ' TYR . 1.0 OUTLIER -122.77 138.43 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 517' ' ' THR . . . . . 0.436 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.5 OUTLIER -128.14 161.99 27.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 23.7 m -104.67 93.08 4.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 127.66 131.14 3.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.412 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.68 156.09 35.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 521' ' ' PRO . . . . . 0.406 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.2 Cg_endo -74.99 149.91 37.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -112.01 56.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -120.78 179.88 16.3 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 9.7 t -109.9 -28.16 8.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 110.399 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 115.15 107.86 2.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.716 ' OD1' HG21 ' A' ' 500' ' ' THR . 3.5 m-80 -114.66 159.18 20.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.13 138.57 49.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.634 HG11 HD23 ' A' ' 477' ' ' LEU . 6.3 t -127.89 117.98 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 427' ' ' THR . . . . . 0.888 ' HB ' HG23 ' A' ' 502' ' ' THR . 45.4 m -105.96 136.6 45.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 428' ' ' ILE . . . . . 0.452 HG21 HD11 ' A' ' 439' ' ' ILE . 1.2 mp -133.72 121.79 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.694 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.3 m-30 -113.55 110.03 19.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.628 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.1 t80 -107.89 140.13 41.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.587 ' CG ' ' CZ ' ' A' ' 464' ' ' TYR . 3.0 mttp -63.38 139.63 58.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 1.9 ttmt -76.5 107.67 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -117.34 4.2 18.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.593 ' O ' ' ND2' ' A' ' 435' ' ' ASN . 3.5 m-85 -138.72 -66.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.593 ' ND2' ' O ' ' A' ' 434' ' ' PHE . 3.1 p30 153.2 -48.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.498 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 37.5 p -142.14 60.0 10.0 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.498 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.98 148.59 35.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 452' ' ' PRO . 88.6 m-85 -94.63 156.36 16.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.529 HG21 HG21 ' A' ' 467' ' ' ILE . 1.9 tt -135.03 121.79 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.649 ' CE1' ' HB2' ' A' ' 451' ' ' ALA . 2.3 t-160 -99.77 119.35 38.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.56 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.974 ' CE1' HG11 ' A' ' 469' ' ' VAL . 15.9 p90 -130.78 153.96 48.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.682 ' C ' HD12 ' A' ' 477' ' ' LEU . 1.3 ttt180 -146.58 125.33 6.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.96 14.87 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' ALA . . . . . 0.573 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -52.76 103.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.29 -0.51 29.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -108.81 -148.63 13.16 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.66 161.42 30.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.583 ' CZ3' ' HB3' ' A' ' 442' ' ' ARG . 57.2 m95 -71.68 157.22 38.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 107.981 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 449' ' ' THR . . . . . 0.595 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 1.6 p -84.12 157.32 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -59.11 95.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.649 ' HB2' ' CE1' ' A' ' 440' ' ' HIS . . . -56.34 128.08 72.6 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.645 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -75.01 138.89 58.69 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.992 -2.504 . . . . 0.0 110.952 0.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.645 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -37.25 -107.51 0.0 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 1.008 HG11 HD11 ' A' ' 467' ' ' ILE . 2.1 p -131.79 151.77 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -78.74 121.03 24.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' MET . . . . . 0.871 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -54.48 119.41 5.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 457' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 466' ' ' LYS . 11.8 mm100 -50.18 173.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.34 131.89 34.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.841 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -111.91 102.49 10.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 461' ' ' ILE . 12.4 pt-20 -57.07 -16.59 7.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.557 ' C ' ' O ' ' A' ' 460' ' ' GLU . 5.9 mm -28.08 -48.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.9 m 156.57 47.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 93.12 39.87 5.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.798 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 2.7 m-30 -117.8 174.0 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.871 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -120.63 144.5 48.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.841 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 54.3 mtpt -129.03 141.3 51.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 1.008 HD11 HG11 ' A' ' 454' ' ' VAL . 0.2 OUTLIER -151.2 130.1 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 468' ' ' THR . . . . . 0.648 HG23 ' OG1' ' A' ' 427' ' ' THR . 4.4 m -122.65 128.64 50.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.974 HG11 ' CE1' ' A' ' 441' ' ' TYR . 10.7 t -131.8 134.91 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.8 145.52 29.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.883 HD11 ' CG2' ' A' ' 500' ' ' THR . 37.8 pt -130.38 21.88 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.656 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -48.53 84.36 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.9 m 146.25 -13.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 0.573 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -127.56 136.68 52.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -7.2 56.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.965 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 476' ' ' GLN . . . . . 0.437 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 5.5 mt-30 -153.27 161.9 41.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.682 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -145.32 142.98 29.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.535 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 2.8 mt-10 -98.18 148.32 23.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.748 ' HB3' ' HE2' ' A' ' 498' ' ' PHE . . . -139.36 156.32 47.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 480' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -145.93 152.61 39.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.628 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.6 t80 -110.42 140.1 44.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.467 ' HB3' ' CG ' ' A' ' 488' ' ' TRP . 0.7 OUTLIER -162.55 135.87 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.488 ' OD2' ' CZ ' ' A' ' 434' ' ' PHE . 31.4 p-10 -77.69 -9.41 58.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 81.85 -10.48 51.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.445 1.091 . . . . 0.0 110.988 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 485' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' A' ' 486' ' ' ASN . 1.8 t-20 -82.38 -30.12 30.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 486' ' ' ASN . . . . . 0.561 ' CB ' ' O ' ' A' ' 485' ' ' ASN . 2.7 t-20 151.76 -20.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 487' ' ' ASN . . . . . 0.45 ' ND2' ' OD2' ' A' ' 483' ' ' ASP . 19.4 m-80 -81.56 110.48 16.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 488' ' ' TRP . . . . . 0.467 ' CG ' ' HB3' ' A' ' 482' ' ' ASN . 11.0 m0 -114.29 169.11 9.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 108.001 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 489' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 481' ' ' PHE . 0.1 OUTLIER -161.9 91.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.661 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -135.37 119.91 18.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.6 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 10.4 t-20 34.57 35.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 6.0 t-20 89.85 -40.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.661 ' N ' ' O ' ' A' ' 490' ' ' SER . 2.2 t 178.74 44.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.462 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.59 ' O ' ' HB3' ' A' ' 495' ' ' ASN . 38.5 mttt -149.55 -79.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 0.59 ' HB3' ' O ' ' A' ' 494' ' ' LYS . 0.0 OUTLIER 167.58 136.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 478' ' ' GLU . 34.0 m-85 -80.13 162.0 24.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 497' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 12.4 t -125.18 136.28 53.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.001 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 498' ' ' PHE . . . . . 1.173 ' CE1' HG21 ' A' ' 516' ' ' ILE . 15.8 m-85 -139.38 153.95 47.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -105.04 152.78 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.883 ' CG2' HD11 ' A' ' 471' ' ' ILE . 23.9 p -32.58 147.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 120.53 -144.87 17.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.888 HG23 ' HB ' ' A' ' 427' ' ' THR . 2.7 m -127.96 136.32 51.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.459 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 428' ' ' ILE . 0.1 OUTLIER -132.82 149.02 52.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.435 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 3.3 m -110.33 139.0 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -116.18 120.71 39.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.739 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.1 m -120.92 146.54 44.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 507' ' ' PRO . . . . . 0.739 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo -74.96 146.03 32.32 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.466 1.772 . . . . 0.0 111.053 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.508 ' HA2' ' CB ' ' A' ' 512' ' ' ASN . . . -59.61 77.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 509' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 507' ' ' PRO . 6.3 m-80 -63.89 81.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 510' ' ' SER . . . . . 0.508 ' C ' ' H ' ' A' ' 512' ' ' ASN . 3.5 m 60.62 126.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 70.03 -42.54 0.49 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 512' ' ' ASN . . . . . 0.508 ' CB ' ' HA2' ' A' ' 508' ' ' GLY . 20.5 m120 -72.19 161.89 30.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -149.18 92.97 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 53.21 86.15 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.23 142.41 27.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 110.421 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 1.173 HG21 ' CE1' ' A' ' 498' ' ' PHE . 1.1 mt -123.55 137.78 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 517' ' ' THR . . . . . 0.435 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.1 OUTLIER -126.26 162.25 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 60.6 p -106.29 93.02 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 128.55 132.8 3.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.529 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.14 153.71 44.64 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 151.45 39.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -105.03 52.12 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.035 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -127.59 62.58 0.62 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 12.5 t -90.75 175.87 6.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 110.454 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -149.75 107.16 0.34 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.501 ' HB3' HG22 ' A' ' 500' ' ' THR . 7.7 m-80 -105.16 161.52 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.22 148.64 51.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 500' ' ' THR . 6.1 t -130.0 120.35 49.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 427' ' ' THR . . . . . 1.006 ' HB ' HG23 ' A' ' 502' ' ' THR . 34.2 m -107.64 135.23 49.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -132.72 121.14 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.72 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.4 m-30 -114.56 114.46 25.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.577 ' CE2' ' CE1' ' A' ' 481' ' ' PHE . 12.4 t80 -106.82 139.88 40.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 3.9 tttt -64.97 140.49 58.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 5.6 ttmt -74.94 103.02 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -120.09 9.68 11.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.6 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 12.2 m-85 -142.23 -61.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.728 . . . . 0.0 110.995 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 11.1 m-20 147.7 -60.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.444 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 68.8 m -132.43 62.13 61.25 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -74.99 151.84 40.05 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.793 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -105.56 144.38 32.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.622 HD11 ' HB1' ' A' ' 479' ' ' ALA . 0.3 OUTLIER -127.52 119.2 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.772 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 0.7 OUTLIER -91.92 119.55 31.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.827 ' CD1' HG11 ' A' ' 469' ' ' VAL . 5.2 p90 -122.19 151.08 41.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.537 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.8 ttt180 -154.81 123.97 3.11 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 443' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.3 Cg_endo -75.0 134.56 17.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 444' ' ' ALA . . . . . 0.623 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -52.16 99.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 107.9 7.86 30.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.571 1.17 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -110.29 -152.03 13.29 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.07 157.8 30.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.537 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 42.3 m95 -74.56 156.68 36.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 108.017 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 449' ' ' THR . . . . . 0.458 HG21 ' CE2' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -77.52 -179.51 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -78.77 97.43 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.772 ' HB2' ' HE1' ' A' ' 440' ' ' HIS . . . -55.74 139.79 68.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.599 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.5 Cg_endo -74.96 120.15 6.44 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.984 -0.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.655 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.8 -132.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.757 HG11 HD11 ' A' ' 467' ' ' ILE . 1.4 p -133.38 131.04 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -54.56 110.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' MET . . . . . 0.938 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 7.2 mtt -54.68 127.65 29.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.58 173.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.44 134.29 34.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.845 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -112.33 109.49 19.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 461' ' ' ILE . 10.7 pt-20 -64.83 -18.69 65.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.569 ' O ' ' CB ' ' A' ' 462' ' ' SER . 1.0 OUTLIER -29.3 -45.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.8 OUTLIER 154.04 59.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 79.19 52.64 4.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.814 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 5.2 m-85 -131.69 -179.31 5.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 0.791 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.938 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.28 148.62 47.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.845 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 53.7 mtpt -129.1 145.79 51.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 0.757 HD11 HG11 ' A' ' 454' ' ' VAL . 0.3 OUTLIER -151.62 130.26 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 468' ' ' THR . . . . . 0.526 HG23 ' OG1' ' A' ' 427' ' ' THR . 2.3 m -121.11 127.85 52.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.827 HG11 ' CD1' ' A' ' 441' ' ' TYR . 9.7 t -132.42 131.64 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -84.64 145.14 28.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.936 HD11 ' CG2' ' A' ' 500' ' ' THR . 11.3 pt -131.83 26.66 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.653 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -51.6 80.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.653 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.7 m 146.72 -12.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 0.623 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -124.05 139.69 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -6.98 59.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -153.77 162.13 41.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.438 HD11 ' HB2' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -140.84 142.74 34.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.495 ' CG ' ' HB3' ' A' ' 495' ' ' ASN . 11.8 tp10 -98.1 139.49 33.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.684 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -130.09 157.14 43.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 480' ' ' ALA . . . . . 0.533 ' O ' HD13 ' A' ' 439' ' ' ILE . . . -144.53 153.41 41.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.577 ' CE1' ' CE2' ' A' ' 430' ' ' TYR . 9.1 t80 -110.41 145.94 36.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.515 ' OD1' ' CE3' ' A' ' 488' ' ' TRP . 0.7 OUTLIER -154.25 152.03 29.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.402 ' CG ' ' HB2' ' A' ' 487' ' ' ASN . 0.4 OUTLIER -134.02 58.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 137.22 -71.57 0.47 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 485' ' ' ASN . . . . . 0.505 ' O ' ' NE1' ' A' ' 488' ' ' TRP . 23.0 t30 178.81 -67.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.801 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -66.26 -20.09 66.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 487' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 482' ' ' ASN . 0.3 OUTLIER -89.35 97.98 11.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 488' ' ' TRP . . . . . 0.515 ' CE3' ' OD1' ' A' ' 482' ' ' ASN . 88.4 m95 -106.31 164.71 11.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.009 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 489' ' ' ASP . . . . . 0.46 ' CB ' ' HB3' ' A' ' 481' ' ' PHE . 0.8 OUTLIER -161.63 80.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.686 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.6 OUTLIER -121.49 120.86 36.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.991 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.553 ' HA ' ' CE1' ' A' ' 496' ' ' TYR . 0.2 OUTLIER 29.15 45.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 48.9 t30 85.2 -45.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.686 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.8 t 178.2 42.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 9.5 mtpt -143.47 -74.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 0.495 ' HB3' ' CG ' ' A' ' 478' ' ' GLU . 2.0 m-20 157.81 143.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 1.029 ' CD1' HD11 ' A' ' 516' ' ' ILE . 61.3 m-85 -91.05 147.85 22.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.8 t -122.6 129.89 52.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 498' ' ' PHE . . . . . 0.82 ' CE1' HG21 ' A' ' 516' ' ' ILE . 10.1 m-85 -132.9 143.67 49.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.549 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -99.22 148.25 24.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.936 ' CG2' HD11 ' A' ' 471' ' ' ILE . 31.4 p -26.46 138.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 129.94 -146.93 17.8 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 502' ' ' THR . . . . . 1.006 HG23 ' HB ' ' A' ' 427' ' ' THR . 2.0 m -129.83 132.98 46.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.41 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 517' ' ' THR . 0.3 OUTLIER -130.64 149.48 52.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.048 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 516' ' ' ILE . 15.4 m -113.27 138.49 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 505' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 12.1 t80 -118.32 126.24 51.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.801 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.0 m -133.75 147.7 65.45 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.451 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 507' ' ' PRO . . . . . 0.801 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo -75.04 146.07 32.06 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.553 1.818 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.546 ' C ' ' ND2' ' A' ' 509' ' ' ASN . . . -93.96 -141.18 10.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 509' ' ' ASN . . . . . 0.546 ' ND2' ' C ' ' A' ' 508' ' ' GLY . 1.8 p30 157.02 104.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 510' ' ' SER . . . . . 0.449 ' C ' ' H ' ' A' ' 512' ' ' ASN . 3.2 m 64.26 112.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 77.31 -37.63 1.58 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 512' ' ' ASN . . . . . 0.449 ' H ' ' C ' ' A' ' 510' ' ' SER . 4.1 m-80 -92.03 161.27 14.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -164.43 101.21 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 53.61 97.61 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.36 138.85 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 1.029 HD11 ' CD1' ' A' ' 496' ' ' TYR . 5.8 mt -122.54 138.67 51.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 517' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 503' ' ' SER . 0.0 OUTLIER -130.48 162.71 28.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 28.3 p -105.42 91.89 3.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 131.56 131.77 3.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.503 ' CB ' ' CD2' ' A' ' 429' ' ' TYR . . . -63.96 152.09 88.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.763 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 521' ' ' PRO . . . . . 0.405 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.4 Cg_endo -74.92 149.91 37.78 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -106.38 53.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 116.64 172.93 16.63 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 72.3 p -44.9 105.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 110.375 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 423' ' ' GLY . . . . . 0.419 ' HA3' ' HA3' ' A' ' 472' ' ' GLY . . . -127.5 -136.41 4.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.583 ' H ' ' CA ' ' A' ' 472' ' ' GLY . 9.9 m-80 -116.11 159.3 21.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.32 137.25 49.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.65 HG21 HD13 ' A' ' 471' ' ' ILE . 14.0 t -129.51 114.06 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 427' ' ' THR . . . . . 0.995 ' HB ' HG23 ' A' ' 502' ' ' THR . 45.9 m -101.16 135.72 42.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 428' ' ' ILE . . . . . 0.412 HG13 ' OG ' ' A' ' 503' ' ' SER . 0.9 OUTLIER -131.49 122.3 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.711 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.1 m-30 -113.62 108.92 17.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.604 ' OH ' ' CE1' ' A' ' 481' ' ' PHE . 4.1 t80 -107.81 140.51 40.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.6 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 14.8 tttm -63.57 140.21 58.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 463' ' ' GLY . 0.0 OUTLIER -94.17 116.33 28.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -120.01 -5.36 10.78 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.555 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 0.7 OUTLIER -115.19 -64.8 1.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.0 p30 151.66 -48.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.49 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 60.2 p -137.88 60.35 23.61 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.49 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.05 150.37 37.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.559 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 13.5 m-85 -104.57 150.74 24.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.507 HD13 HG21 ' A' ' 467' ' ' ILE . 1.9 tt -130.31 119.11 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.713 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 0.9 OUTLIER -94.71 117.25 29.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.572 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.871 ' CE1' HG11 ' A' ' 469' ' ' VAL . 3.4 p90 -135.34 152.79 51.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.775 ' C ' HD12 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -149.93 133.79 8.89 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 443' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.4 Cg_endo -75.02 133.48 16.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 444' ' ' ALA . . . . . 0.735 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -39.11 131.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 61.54 27.03 67.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -118.51 -136.22 5.4 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.24 147.95 32.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 110.006 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.629 ' CH2' ' ND2' ' A' ' 495' ' ' ASN . 88.1 m95 -75.27 160.32 30.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' THR . . . . . 0.585 HG22 ' H ' ' A' ' 450' ' ' ALA . 2.7 m -74.55 -173.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.585 ' H ' HG22 ' A' ' 449' ' ' THR . . . -83.27 104.49 13.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.713 ' HB2' ' HE1' ' A' ' 440' ' ' HIS . . . -54.51 139.23 59.1 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.609 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -75.04 120.43 6.65 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.97 0.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.65 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.63 -130.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.663 HG11 ' HE2' ' A' ' 441' ' ' TYR . 7.1 p -132.11 137.83 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -58.02 108.62 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 456' ' ' MET . . . . . 0.984 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 29.3 mtm -55.57 137.54 48.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -64.87 172.07 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.45 131.76 34.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.843 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -111.97 102.25 10.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.0 pt-20 -57.34 -16.18 8.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.565 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -28.66 -46.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.4 m 153.71 44.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.432 ' O ' ' HB3' ' A' ' 432' ' ' LYS . . . 96.27 45.97 2.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.835 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.8 m-85 -126.13 177.75 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.984 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -120.73 151.01 40.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.843 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 51.3 mtpt -130.67 146.72 52.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 0.734 HD13 ' HA ' ' A' ' 456' ' ' MET . 1.5 tp -151.7 130.3 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 468' ' ' THR . . . . . 0.464 HG23 ' OG1' ' A' ' 427' ' ' THR . 3.4 m -123.28 123.23 40.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.871 HG11 ' CE1' ' A' ' 441' ' ' TYR . 10.2 t -132.01 135.76 57.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.448 ' HA ' ' O ' ' A' ' 424' ' ' ASN . 2.1 t70 -83.32 145.59 28.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.65 HD13 HG21 ' A' ' 426' ' ' VAL . 12.9 pt -139.82 28.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.583 ' CA ' ' H ' ' A' ' 424' ' ' ASN . . . -53.25 -16.06 4.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.452 1.095 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.71 2.48 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.003 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 0.735 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -141.58 128.23 20.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 2.6 t -69.24 -8.97 50.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 476' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 11.4 mt-30 -153.89 162.82 40.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.775 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.4 OUTLIER -142.49 141.89 32.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.52 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 12.3 mp0 -98.03 147.78 24.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.706 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -139.23 156.87 46.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 480' ' ' ALA . . . . . 0.771 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -145.17 150.61 37.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.604 ' CE1' ' OH ' ' A' ' 430' ' ' TYR . 1.5 t80 -109.92 137.87 47.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.472 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.3 OUTLIER -161.59 134.31 6.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 487' ' ' ASN . 15.6 p-10 -69.24 -9.4 52.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.559 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 83.18 -10.56 58.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.17 -83.5 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.733 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.51 17.84 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 487' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' A' ' 483' ' ' ASP . 44.8 m-80 -123.29 119.35 29.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 488' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -113.72 179.85 3.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 489' ' ' ASP . . . . . 0.554 ' HB2' ' CD2' ' A' ' 481' ' ' PHE . 0.6 OUTLIER -170.08 96.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.685 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -134.44 119.41 18.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.559 ' C ' ' O ' ' A' ' 490' ' ' SER . 11.4 t-20 27.43 45.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 8.9 t-20 84.88 -45.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.685 ' N ' ' O ' ' A' ' 490' ' ' SER . 4.0 t 179.57 42.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.41 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 22.5 mttm -142.61 -73.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 0.771 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 3.5 m-20 156.69 144.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 1.064 ' CD1' HD11 ' A' ' 516' ' ' ILE . 71.0 m-85 -89.2 158.14 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 497' ' ' SER . . . . . 0.483 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 6.8 t -131.06 139.01 49.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 110.027 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 498' ' ' PHE . . . . . 0.799 ' CE1' HG21 ' A' ' 516' ' ' ILE . 11.9 m-85 -138.7 147.62 42.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.527 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -102.87 152.13 21.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.942 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.646 ' CG2' HD11 ' A' ' 471' ' ' ILE . 26.9 p -27.62 140.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.28 -150.46 17.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.995 HG23 ' HB ' ' A' ' 427' ' ' THR . 4.1 m -128.75 133.38 48.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 110.387 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.412 ' OG ' HG13 ' A' ' 428' ' ' ILE . 78.0 p -134.57 149.11 50.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 4.8 m -116.08 138.08 51.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.354 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 505' ' ' TYR . . . . . 0.565 ' OH ' ' CE2' ' A' ' 496' ' ' TYR . 8.1 t80 -119.55 128.63 54.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.717 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.9 m -132.92 146.36 60.98 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 507' ' ' PRO . . . . . 0.717 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.4 Cg_endo -74.97 144.52 30.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.542 ' O ' ' ND2' ' A' ' 509' ' ' ASN . . . -108.56 -142.19 9.88 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 509' ' ' ASN . . . . . 0.542 ' ND2' ' O ' ' A' ' 508' ' ' GLY . 2.6 p30 156.29 154.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.733 . . . . 0.0 109.345 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.67 -84.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -110.2 -16.91 9.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 512' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -95.94 161.43 14.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -166.6 103.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 51.37 88.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.58 139.06 30.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 1.064 HD11 ' CD1' ' A' ' 496' ' ' TYR . 4.2 mt -119.86 138.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.73 162.59 26.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 4.7 m -105.49 91.58 3.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.33 135.32 3.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.501 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.18 156.66 26.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 521' ' ' PRO . . . . . 0.434 ' HG2' HG21 ' A' ' 461' ' ' ILE . 18.5 Cg_endo -74.91 150.04 38.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.456 1.766 . . . . 0.0 110.99 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -112.38 55.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -170.8 120.95 0.88 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 2.7 m -151.89 136.91 17.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.402 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -178.42 -70.77 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.522 ' HB3' HG22 ' A' ' 500' ' ' THR . 5.7 m120 -128.46 158.87 37.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -130.15 147.54 51.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 3.4 t -129.28 120.72 51.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 427' ' ' THR . . . . . 0.701 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 51.9 m -106.86 136.26 47.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 428' ' ' ILE . . . . . 0.535 ' HB ' HG22 ' A' ' 467' ' ' ILE . 2.6 mt -132.54 121.62 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.701 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.9 m-30 -114.65 113.12 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.626 ' CE2' ' CE1' ' A' ' 481' ' ' PHE . 6.5 t80 -108.64 141.19 40.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.541 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -63.76 139.68 58.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 6.0 ttmt -74.82 109.94 8.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.19 18.79 6.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.6 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 12.1 m-85 -152.32 -61.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.747 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.9 m-20 148.01 -60.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.477 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 61.0 p -133.28 61.05 52.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.04 147.8 34.27 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.58 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 21.8 m-85 -98.52 152.22 19.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.763 HD12 ' CE ' ' A' ' 456' ' ' MET . 4.6 tt -131.79 122.51 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.615 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 7.1 t-160 -92.72 118.49 31.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.606 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.764 ' CD1' HG11 ' A' ' 469' ' ' VAL . 4.6 p90 -127.25 151.65 48.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.525 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.9 ttt180 -153.35 126.36 4.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 443' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.3 Cg_endo -75.01 134.49 17.87 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.799 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.83 101.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 106.86 5.91 35.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -110.44 -151.35 12.85 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.08 162.2 21.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.525 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 50.3 m95 -77.42 155.73 31.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.05 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 449' ' ' THR . . . . . 0.439 HG21 ' CE2' ' A' ' 441' ' ' TYR . 0.4 OUTLIER -76.31 -175.78 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.407 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -79.08 93.15 5.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.664 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.01 139.49 63.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.577 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.03 119.37 5.92 Favored 'Cis proline' 0 C--N 1.359 1.11 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.03 0.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.664 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 19.87 -136.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.742 HG11 HD11 ' A' ' 467' ' ' ILE . 1.0 OUTLIER -131.94 135.69 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -54.55 108.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' MET . . . . . 0.907 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 7.4 mtp -53.86 127.01 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 457' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 466' ' ' LYS . 24.4 mt-30 -54.48 173.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.3 136.56 33.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.919 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -112.09 112.92 24.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.515 ' O ' ' C ' ' A' ' 461' ' ' ILE . 10.4 pt-20 -69.39 -18.36 63.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.558 ' O ' ' CB ' ' A' ' 462' ' ' SER . 0.9 OUTLIER -30.71 -46.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.9 OUTLIER 154.27 58.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 80.39 54.02 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.905 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.5 m-85 -132.58 -176.8 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 0.793 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.907 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -126.0 151.23 47.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.919 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 46.5 mtpt -133.32 148.18 51.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 0.742 HD11 HG11 ' A' ' 454' ' ' VAL . 0.4 OUTLIER -151.29 136.31 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.7 m -122.97 128.0 49.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.764 HG11 ' CD1' ' A' ' 441' ' ' TYR . 26.1 t -134.27 129.72 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -84.72 144.88 28.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.967 HD11 ' CG2' ' A' ' 500' ' ' THR . 29.9 pt -126.92 -39.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.478 ' HA2' ' N ' ' A' ' 424' ' ' ASN . . . 36.14 -90.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -54.61 -10.68 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.96 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 0.867 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -112.0 132.96 54.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.31 -13.77 54.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -151.92 163.32 39.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.88 ' C ' HD23 ' A' ' 477' ' ' LEU . 0.2 OUTLIER -140.64 134.28 30.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 2.4 tt0 -104.24 129.0 52.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.267 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.615 ' HA ' ' O ' ' A' ' 440' ' ' HIS . . . -143.53 166.64 24.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 480' ' ' ALA . . . . . 0.592 ' HB2' ' HB3' ' A' ' 490' ' ' SER . . . -139.78 168.99 18.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.626 ' CE1' ' CE2' ' A' ' 430' ' ' TYR . 1.4 t80 -108.53 144.46 36.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.516 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.9 OUTLIER -160.26 136.25 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.563 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 14.1 p-10 -68.0 -16.0 63.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.58 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 93.99 -13.24 67.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -81.81 -83.52 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 0.753 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -154.86 17.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 487' ' ' ASN . . . . . 0.411 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 5.4 m-80 -119.78 117.64 28.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 488' ' ' TRP . . . . . 0.405 ' CD2' ' HB3' ' A' ' 482' ' ' ASN . 17.9 m95 -117.26 175.77 5.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.39 99.99 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.714 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -133.92 120.41 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.973 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.587 ' C ' ' O ' ' A' ' 490' ' ' SER . 10.0 t-20 24.36 49.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 51.7 t30 83.32 -46.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.714 ' N ' ' O ' ' A' ' 490' ' ' SER . 2.7 t 178.79 42.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.435 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 1.0 OUTLIER -140.28 -73.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 494' ' ' LYS . 1.7 m-80 158.76 146.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 0.988 ' CD1' HD11 ' A' ' 516' ' ' ILE . 55.3 m-85 -94.23 147.0 23.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 17.8 t -117.87 133.07 56.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 498' ' ' PHE . . . . . 0.734 ' CE1' HG21 ' A' ' 516' ' ' ILE . 8.5 m-85 -133.44 142.34 48.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.494 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -97.81 154.03 17.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.967 ' CG2' HD11 ' A' ' 471' ' ' ILE . 34.9 p -30.47 145.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 121.07 -145.58 17.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.489 HG23 ' HB ' ' A' ' 427' ' ' THR . 33.9 m -129.4 137.09 50.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 0.0 110.427 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 10.5 p -130.71 148.53 52.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.414 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 17.1 m -111.54 138.19 48.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 505' ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 3.2 t80 -122.0 123.86 42.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.75 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.9 m -129.44 146.52 61.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 507' ' ' PRO . . . . . 0.75 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo -75.02 144.86 30.69 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.446 ' HA3' ' CB ' ' A' ' 512' ' ' ASN . . . -92.49 -129.93 5.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 509' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 508' ' ' GLY . 0.3 OUTLIER 164.45 87.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.94 -84.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -56.41 -27.31 53.32 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 512' ' ' ASN . . . . . 0.446 ' CB ' ' HA3' ' A' ' 508' ' ' GLY . 3.5 m120 -111.0 160.37 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -152.05 91.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 50.39 97.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.89 139.55 30.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.433 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 0.988 HD11 ' CD1' ' A' ' 496' ' ' TYR . 3.1 mt -123.82 138.91 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 517' ' ' THR . . . . . 0.414 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.6 OUTLIER -132.02 162.61 30.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.43 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 20.4 m -103.93 93.08 4.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 134.21 130.49 3.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.501 ' HB1' ' CD2' ' A' ' 429' ' ' TYR . . . -67.26 152.6 95.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 521' ' ' PRO . . . . . 0.405 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.3 Cg_endo -75.02 151.06 38.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -109.68 53.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -169.56 61.79 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 18.7 m -38.63 -42.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 110.352 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 94.59 90.29 1.68 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.563 1.165 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.478 ' H ' ' CA ' ' A' ' 472' ' ' GLY . 14.3 m120 -120.55 152.71 37.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 137.02 51.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.602 HG11 HD23 ' A' ' 477' ' ' LEU . 4.4 t -127.63 120.59 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 427' ' ' THR . . . . . 0.934 ' HB ' HG23 ' A' ' 502' ' ' THR . 66.1 m -105.72 127.3 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 428' ' ' ILE . . . . . 0.729 HG21 HD11 ' A' ' 439' ' ' ILE . 2.9 mt -125.02 120.57 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.701 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 14.3 m-30 -114.0 113.3 24.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.608 ' CE2' ' O ' ' A' ' 431' ' ' LYS . 11.0 t80 -107.76 140.16 41.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.608 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 3.6 tmtm? -62.73 140.39 58.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 4.2 ttmt -79.56 106.83 11.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -121.47 6.58 10.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.605 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 15.6 m-85 -136.67 -59.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.605 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.3 m120 147.99 -63.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.288 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.469 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 8.3 t -131.07 61.54 60.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.2 Cg_endo -75.01 156.17 42.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.579 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 7.1 m-85 -107.02 151.24 25.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.729 HD11 HG21 ' A' ' 428' ' ' ILE . 2.4 tt -131.18 119.08 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.537 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 1.7 t-160 -93.33 120.74 33.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.611 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.896 ' CD2' HG21 ' A' ' 469' ' ' VAL . 5.7 p90 -123.74 150.68 44.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.718 ' C ' HD12 ' A' ' 477' ' ' LEU . 2.3 ttp180 -147.03 125.04 6.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 133.7 16.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -56.15 102.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 113.93 0.67 24.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -116.34 -148.83 9.14 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 447' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 448' ' ' TRP . 12.0 t -121.61 -176.94 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.662 ' CZ2' ' ND2' ' A' ' 495' ' ' ASN . 71.5 m95 -91.08 162.13 14.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 107.995 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' THR . . . . . 0.485 ' N ' ' HE2' ' A' ' 440' ' ' HIS . 0.2 OUTLIER -77.34 -177.85 4.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -77.43 97.93 5.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.64 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.95 139.31 70.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.621 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.4 Cg_endo -74.93 120.53 6.7 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.024 -0.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.64 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.91 -130.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.65 HG11 HD11 ' A' ' 467' ' ' ILE . 10.1 p -133.03 138.94 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -60.19 113.14 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' MET . . . . . 0.957 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 37.7 mtm -59.39 128.75 38.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 457' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 466' ' ' LYS . 23.8 mm-40 -59.06 176.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.87 135.22 33.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.899 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -113.39 109.52 18.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 461' ' ' ILE . 12.8 pt-20 -66.15 -14.15 61.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.545 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -31.19 -46.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.4 m 155.19 44.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.29 48.21 2.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.892 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.2 m-85 -127.33 179.99 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.777 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.957 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -122.99 148.3 45.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.899 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 47.6 mtpt -128.24 146.25 50.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 0.65 HD11 HG11 ' A' ' 454' ' ' VAL . 0.3 OUTLIER -151.67 129.12 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 468' ' ' THR . . . . . 0.436 HG23 ' OG1' ' A' ' 427' ' ' THR . 3.2 m -120.93 125.42 47.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.896 HG21 ' CD2' ' A' ' 441' ' ' TYR . 14.7 t -132.99 136.92 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 424' ' ' ASN . 2.9 t70 -89.96 146.62 24.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.771 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 8.7 pt -129.53 8.32 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.714 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -22.07 108.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.714 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 7.1 t 106.13 -13.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 0.771 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -106.44 133.97 50.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.55 -15.7 56.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.041 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -155.35 161.73 40.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.718 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.1 OUTLIER -140.71 143.31 34.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.163 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.459 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 0.4 OUTLIER -95.99 148.18 22.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.82 ' HB3' ' CE1' ' A' ' 498' ' ' PHE . . . -136.28 156.63 48.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 480' ' ' ALA . . . . . 0.673 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -144.76 148.75 34.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.596 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 3.2 t80 -109.01 142.72 39.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.46 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.4 OUTLIER -160.54 148.17 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.574 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 15.9 p-10 -83.54 -11.53 57.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.579 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 88.34 -13.15 62.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -81.48 -84.37 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 0.773 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.46 18.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 487' ' ' ASN . . . . . 0.41 ' O ' ' OD1' ' A' ' 483' ' ' ASP . 4.5 m-80 -121.61 122.02 38.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 488' ' ' TRP . . . . . 0.419 ' CE3' ' OD1' ' A' ' 482' ' ' ASN . 7.4 m95 -114.88 -179.31 3.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 108.005 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 489' ' ' ASP . . . . . 0.447 ' HB2' ' CD2' ' A' ' 481' ' ' PHE . 0.2 OUTLIER -169.36 94.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.67 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -133.33 119.5 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 0.1 OUTLIER 31.21 41.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.565 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 16.4 t-20 87.08 -44.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.67 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.9 t 177.91 45.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.37 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 27.4 mttt -147.71 -73.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 0.673 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 1.7 m-20 158.58 141.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 0.854 ' CD1' HD11 ' A' ' 516' ' ' ILE . 55.1 m-85 -88.17 161.56 17.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 497' ' ' SER . . . . . 0.489 ' C ' ' CD1' ' A' ' 498' ' ' PHE . 40.6 t -129.2 138.78 51.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 498' ' ' PHE . . . . . 0.82 ' CE1' ' HB3' ' A' ' 479' ' ' ALA . 0.8 OUTLIER -141.88 145.34 34.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.525 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -97.68 146.14 25.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.752 ' CG2' HD11 ' A' ' 471' ' ' ILE . 41.0 p -28.75 142.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 127.11 -144.1 14.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.934 HG23 ' HB ' ' A' ' 427' ' ' THR . 1.3 m -129.54 131.3 46.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 503' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 517' ' ' THR . 4.2 p -130.94 149.31 52.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.434 ' OG1' ' HD3' ' A' ' 521' ' ' PRO . 37.3 m -111.97 138.69 48.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.448 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -121.26 122.45 39.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.783 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.1 m -129.62 147.31 64.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 507' ' ' PRO . . . . . 0.783 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo -74.99 145.52 31.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.477 ' CA ' ' HB2' ' A' ' 512' ' ' ASN . . . -92.82 -132.13 5.94 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 509' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 511' ' ' GLY . 1.1 m120 166.0 94.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.61 -81.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 511' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 509' ' ' ASN . . . -61.59 -22.52 61.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 512' ' ' ASN . . . . . 0.477 ' HB2' ' CA ' ' A' ' 508' ' ' GLY . 31.7 m120 -115.06 160.47 19.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -154.43 94.74 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 48.88 97.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.14 140.84 29.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 0.854 HD11 ' CD1' ' A' ' 496' ' ' TYR . 11.3 mt -123.22 138.96 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 517' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 503' ' ' SER . 0.0 OUTLIER -132.77 162.94 30.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.395 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 4.7 m -105.43 92.48 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 133.69 131.24 3.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.558 ' HB1' ' CD2' ' A' ' 429' ' ' TYR . . . -67.72 147.65 98.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 521' ' ' PRO . . . . . 0.458 ' HG2' HG21 ' A' ' 461' ' ' ILE . 18.1 Cg_endo -75.07 152.37 40.37 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . 47.32 20.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 523' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 521' ' ' PRO . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 0.0 110.947 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 125.58 -98.17 0.53 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 176.45 -45.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 110.423 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 88.69 100.96 0.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.05 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.458 ' N ' ' HA2' ' A' ' 472' ' ' GLY . 13.9 m-20 -125.47 156.81 38.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 109.314 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.48 ' HD2' HG22 ' A' ' 468' ' ' THR . 0.1 OUTLIER -130.1 144.47 51.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.89 117.03 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 427' ' ' THR . . . . . 0.844 ' HB ' HG23 ' A' ' 502' ' ' THR . 96.1 m -103.22 135.52 44.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 428' ' ' ILE . . . . . 0.414 ' HB ' HG22 ' A' ' 467' ' ' ILE . 2.5 mt -133.21 122.15 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.697 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.3 m-30 -114.0 110.91 20.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.607 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.0 t80 -106.79 140.27 39.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.606 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -62.96 140.86 58.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.4 ttmm -82.81 109.73 17.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -126.53 16.03 6.66 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.58 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 28.9 m-85 -146.22 -63.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.58 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.2 m120 149.29 -63.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.463 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 58.1 m -130.25 61.77 60.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.463 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.02 144.08 29.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.584 ' CD2' ' HB2' ' A' ' 452' ' ' PRO . 76.4 m-85 -91.28 150.93 21.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 439' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.39 125.86 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 448' ' ' TRP . 1.3 t-80 -100.53 117.97 35.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.604 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.814 ' CE1' HG11 ' A' ' 469' ' ' VAL . 4.9 p90 -132.91 151.56 52.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.618 ' HG2' ' CE2' ' A' ' 448' ' ' TRP . 0.0 OUTLIER -153.53 131.99 6.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 443' ' ' PRO . . . . . 0.419 ' O ' ' HD2' ' A' ' 442' ' ' ARG . 18.1 Cg_endo -75.06 134.75 18.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 444' ' ' ALA . . . . . 0.483 ' HA ' HH21 ' A' ' 442' ' ' ARG . . . -44.43 135.95 4.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 64.49 16.01 60.15 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -109.51 -134.7 7.03 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.36 146.75 30.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.618 ' CE2' ' HG2' ' A' ' 442' ' ' ARG . 86.4 m95 -73.75 156.47 37.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 107.968 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' THR . . . . . . . . . . . . . 1.7 p -73.32 -174.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.528 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -89.44 95.88 10.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.449 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -52.21 127.24 37.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.64 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -74.97 144.54 81.3 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.99 -0.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -45.74 -116.91 0.0 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.404 HG13 HD11 ' A' ' 467' ' ' ILE . 3.5 p -130.67 142.13 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.53 115.02 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 456' ' ' MET . . . . . 0.864 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -46.28 120.04 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 457' ' ' GLN . . . . . 0.418 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 8.8 mm100 -47.4 174.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.31 133.7 34.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.833 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -113.71 105.4 13.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.5 pt-20 -59.78 -15.5 20.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.561 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.2 mm -29.39 -47.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.0 OUTLIER 154.48 44.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.03 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.15 46.53 2.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.827 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.8 m-85 -126.84 179.89 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.864 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.07 147.22 48.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.833 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 51.1 mtpt -127.39 146.98 50.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 0.813 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.2 tp -150.97 129.47 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 468' ' ' THR . . . . . 0.48 HG22 ' HD2' ' A' ' 425' ' ' LYS . 1.7 m -121.61 123.5 42.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.814 HG11 ' CE1' ' A' ' 441' ' ' TYR . 21.4 t -131.85 133.38 61.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.78 145.48 26.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.9 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 40.0 pt -121.96 -38.15 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.458 ' HA2' ' N ' ' A' ' 424' ' ' ASN . . . 36.88 -91.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -55.29 -13.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.988 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 0.9 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -108.28 127.29 53.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.31 -13.03 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -153.37 161.78 41.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.592 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -140.61 131.85 26.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.453 ' OE1' ' NH2' ' A' ' 442' ' ' ARG . 0.8 OUTLIER -111.56 135.69 51.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.721 ' HB2' ' CB ' ' A' ' 441' ' ' TYR . . . -149.34 162.92 39.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 480' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -130.89 169.05 16.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.607 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.8 t80 -109.16 145.75 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.513 ' HB3' ' CG ' ' A' ' 488' ' ' TRP . 1.0 OUTLIER -161.58 137.88 8.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.435 ' OD2' ' ND2' ' A' ' 487' ' ' ASN . 20.1 p-10 -78.37 -6.91 56.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.557 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 81.55 -10.59 49.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.563 1.164 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 485' ' ' ASN . . . . . 0.563 ' O ' ' CB ' ' A' ' 486' ' ' ASN . 1.8 t-20 -82.63 -31.09 28.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 486' ' ' ASN . . . . . 0.563 ' CB ' ' O ' ' A' ' 485' ' ' ASN . 3.2 t-20 151.68 -20.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 487' ' ' ASN . . . . . 0.435 ' ND2' ' OD2' ' A' ' 483' ' ' ASP . 20.8 m-80 -79.34 111.27 15.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 488' ' ' TRP . . . . . 0.513 ' CG ' ' HB3' ' A' ' 482' ' ' ASN . 11.3 m0 -116.12 165.68 12.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.01 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -148.72 108.97 4.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 492' ' ' ASN . 1.9 p -133.89 176.0 8.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.453 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 49.3 t30 -38.31 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.5 m-20 159.18 -22.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 1.8 t 177.89 28.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.436 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.57 ' O ' ' ND2' ' A' ' 495' ' ' ASN . 19.0 mttt -145.75 -71.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' A' ' 494' ' ' LYS . 1.9 p30 157.57 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 0.704 ' CD1' HD11 ' A' ' 516' ' ' ILE . 64.0 m-85 -94.46 153.87 17.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.7 t -112.15 141.36 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 498' ' ' PHE . . . . . 0.45 ' HE1' HG21 ' A' ' 516' ' ' ILE . 15.6 m-85 -138.0 146.98 43.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.481 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.1 OUTLIER -107.88 154.84 21.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.035 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.712 HG22 HD11 ' A' ' 471' ' ' ILE . 36.8 p -32.4 143.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 119.0 -146.41 18.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.844 HG23 ' HB ' ' A' ' 427' ' ' THR . 11.2 m -129.17 137.84 51.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 9.1 p -132.78 148.68 52.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.946 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.419 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 3.8 m -111.02 139.02 46.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.373 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 505' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 3.0 t80 -120.23 125.78 49.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.76 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.7 m -133.2 147.0 63.36 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 507' ' ' PRO . . . . . 0.76 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo -75.01 145.98 32.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.599 1.842 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.474 ' O ' ' HB3' ' A' ' 509' ' ' ASN . . . -90.49 -139.53 7.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 509' ' ' ASN . . . . . 0.474 ' HB3' ' O ' ' A' ' 508' ' ' GLY . 4.5 p-10 157.41 101.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 0.741 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 510' ' ' SER . . . . . 0.43 ' C ' ' H ' ' A' ' 512' ' ' ASN . 3.3 m 64.93 112.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 78.03 -37.53 1.73 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 512' ' ' ASN . . . . . 0.43 ' H ' ' C ' ' A' ' 510' ' ' SER . 5.7 m-80 -92.11 160.41 15.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 0.732 . . . . 0.0 109.295 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 514' ' ' GLY . . . -158.63 96.22 1.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 514' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 513' ' ' ALA . . . 50.79 103.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.67 142.57 27.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.74 . . . . 0.0 110.422 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 0.704 HD11 ' CD1' ' A' ' 496' ' ' TYR . 1.6 mt -123.19 138.36 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 517' ' ' THR . . . . . 0.419 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.6 OUTLIER -128.7 162.13 28.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.423 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 79.1 p -105.55 93.12 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.976 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.19 131.69 3.41 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -58.79 156.22 26.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 0.798 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 150.04 37.36 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -112.11 57.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.128 . . . . 0.0 110.995 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 143.11 136.02 3.11 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 13.5 t -84.29 161.43 20.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.421 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 160.36 -107.0 0.3 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.557 ' HB3' HG22 ' A' ' 500' ' ' THR . 26.6 m120 -75.75 153.99 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 426' ' ' VAL . 0.8 OUTLIER -128.1 145.73 50.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.479 ' CG2' HD13 ' A' ' 471' ' ' ILE . 8.8 t -127.6 124.99 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 427' ' ' THR . . . . . 0.857 ' HB ' HG23 ' A' ' 502' ' ' THR . 54.8 m -109.69 136.48 48.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 2.6 mt -132.51 122.03 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.701 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.6 m-30 -114.47 110.51 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.612 ' CE2' ' O ' ' A' ' 431' ' ' LYS . 19.4 t80 -107.06 139.38 41.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.612 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.4 OUTLIER -64.14 140.27 58.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.3 ttmt -76.82 104.69 7.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -119.37 7.01 12.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.614 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 17.2 m-85 -140.25 -60.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 111.053 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 12.8 m-20 147.07 -60.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.476 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 49.5 m -132.43 61.18 55.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.99 151.24 39.32 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.508 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 65.3 m-85 -99.02 151.31 21.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.542 HG21 HG21 ' A' ' 467' ' ' ILE . 0.1 OUTLIER -133.09 119.12 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.637 ' CE1' ' CE3' ' A' ' 448' ' ' TRP . 6.4 t-160 -92.36 121.23 33.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.794 ' CD1' HG11 ' A' ' 469' ' ' VAL . 6.6 p90 -129.34 151.78 49.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.53 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.9 ttt180 -153.35 125.11 3.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.333 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.88 18.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' ALA . . . . . 0.459 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -53.86 101.8 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 104.66 8.47 37.31 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.13 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -111.64 -152.95 12.3 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.9 155.45 35.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.044 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.637 ' CE3' ' CE1' ' A' ' 440' ' ' HIS . 36.7 m95 -70.58 158.88 35.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.038 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' THR . . . . . 0.683 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -81.58 -175.29 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -81.12 96.07 7.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.676 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -58.48 138.77 85.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.619 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.96 118.62 5.41 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.977 -2.51 . . . . 0.0 111.024 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.676 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 13.27 -130.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 14.6 p -132.96 138.69 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.57 110.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' MET . . . . . 0.897 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 24.4 mtm -50.82 123.64 9.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 457' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 13.9 mt-30 -52.83 174.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.63 131.98 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.359 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.85 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -110.5 107.95 17.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.4 pt-20 -59.67 -15.09 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.239 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.576 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.2 mm -30.06 -45.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.2 m 152.76 44.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.036 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 95.72 45.73 2.86 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.686 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 2.3 m-85 -123.05 -179.82 4.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 0.731 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.897 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.75 144.34 50.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.85 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 56.5 mtpt -126.13 143.91 50.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 0.887 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.3 tp -150.89 129.7 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.5 m -119.0 122.81 43.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.794 HG11 ' CD1' ' A' ' 441' ' ' TYR . 44.1 t -124.54 127.11 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.05 145.3 30.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.764 HD11 ' CG2' ' A' ' 500' ' ' THR . 11.1 pt -131.68 28.0 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.638 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -51.63 78.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.2 m 148.27 -15.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 0.742 . . . . 0.0 109.944 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -123.57 135.49 54.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.0 -8.19 57.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -154.51 162.4 41.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.858 ' C ' HD23 ' A' ' 477' ' ' LEU . 0.2 OUTLIER -141.95 139.36 32.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 3.2 tt0 -107.34 128.08 54.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.542 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -144.85 162.34 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -138.47 168.54 19.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.591 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.1 t80 -109.53 145.42 36.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.506 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.5 OUTLIER -162.33 135.61 6.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.434 ' OD1' ' ND2' ' A' ' 487' ' ' ASN . 10.6 p-10 -75.78 -6.4 50.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 81.87 -14.45 31.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.143 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 485' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 486' ' ' ASN . 2.0 t-20 -76.6 -32.48 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 486' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 485' ' ' ASN . 1.4 m120 152.45 -19.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 487' ' ' ASN . . . . . 0.434 ' ND2' ' OD1' ' A' ' 483' ' ' ASP . 37.9 m-80 -82.31 112.15 19.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 488' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -113.74 171.08 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 107.995 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 489' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 481' ' ' PHE . 0.6 OUTLIER -149.6 107.8 3.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 492' ' ' ASN . 14.6 m -132.95 175.57 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 50.0 t30 -38.97 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 490' ' ' SER . 0.8 OUTLIER 159.83 -22.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 1.8 t 177.47 30.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.39 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 0.5 OUTLIER -146.64 -71.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 494' ' ' LYS . 6.4 p-10 157.6 166.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 0.501 ' O ' ' HA ' ' A' ' 478' ' ' GLU . 47.7 m-85 -95.92 152.79 18.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 48.5 t -115.41 139.1 50.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 498' ' ' PHE . . . . . 0.715 ' HE1' HG21 ' A' ' 516' ' ' ILE . 8.9 m-85 -137.59 143.21 41.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.508 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -100.06 149.63 23.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.764 ' CG2' HD11 ' A' ' 471' ' ' ILE . 41.4 p -28.67 141.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 125.51 -146.63 16.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.434 1.084 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.857 HG23 ' HB ' ' A' ' 427' ' ' THR . 8.1 m -129.87 138.59 51.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.455 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 6.3 p -133.86 148.02 51.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.406 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 6.0 m -115.19 137.95 51.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.447 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -121.76 118.96 30.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 3.0 m -118.69 121.85 30.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 507' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.19 26.31 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.477 1.778 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.604 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -42.37 -85.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.54 1.15 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 509' ' ' ASN . . . . . 0.604 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 3.3 t-20 90.12 58.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 510' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 509' ' ' ASN . 0.5 OUTLIER 159.69 -64.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.028 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -165.32 27.58 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 111.066 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 512' ' ' ASN . . . . . 0.476 ' HB3' ' CA ' ' A' ' 508' ' ' GLY . 7.0 t-20 -118.6 160.16 22.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.442 ' N ' ' OD1' ' A' ' 512' ' ' ASN . . . -85.19 -125.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -124.93 114.62 2.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.93 138.46 31.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 110.453 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 0.715 HG21 ' HE1' ' A' ' 498' ' ' PHE . 4.3 mt -123.58 138.07 54.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 517' ' ' THR . . . . . 0.406 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 1.2 p -126.5 162.06 26.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 58.5 m -105.38 91.5 3.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 132.94 132.57 3.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.552 1.158 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.27 156.58 28.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 149.64 36.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -117.89 61.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -159.06 166.23 34.51 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.11 -5.87 54.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 77.14 78.19 0.76 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.414 ' HB3' HG22 ' A' ' 500' ' ' THR . 10.8 m-80 -93.62 156.65 16.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.745 ' HD2' HG22 ' A' ' 468' ' ' THR . 5.8 tppt? -128.7 146.34 50.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.592 ' CG2' HD13 ' A' ' 471' ' ' ILE . 9.9 t -133.77 123.8 46.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 427' ' ' THR . . . . . 0.919 ' HB ' HG23 ' A' ' 502' ' ' THR . 74.5 m -112.21 134.18 53.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -132.93 122.76 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.693 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.2 m-30 -114.2 113.06 24.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.605 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.2 t80 -107.39 140.55 40.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -62.71 140.78 58.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.8 ttmt -74.07 117.53 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.41 10.02 6.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.567 ' O ' ' ND2' ' A' ' 435' ' ' ASN . 0.4 OUTLIER -144.14 -70.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 110.959 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.567 ' ND2' ' O ' ' A' ' 434' ' ' PHE . 3.1 p30 154.42 -25.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.505 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 46.0 m -166.29 59.34 0.54 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.03 150.57 38.22 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.574 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 20.8 m-85 -97.74 152.11 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.492 HG21 HG21 ' A' ' 467' ' ' ILE . 0.2 OUTLIER -132.9 123.72 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.73 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 21.6 t60 -96.46 122.98 39.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.624 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 1.002 ' CE1' HG11 ' A' ' 469' ' ' VAL . 6.7 p90 -129.97 152.47 49.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.519 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.5 ttt180 -152.65 125.92 4.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 134.95 18.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.796 . . . . 0.0 111.051 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -54.48 102.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 105.69 5.71 38.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -109.16 -150.24 13.69 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.28 154.98 44.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.777 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.73 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 41.3 m95 -69.65 158.29 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 0.0 108.039 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 449' ' ' THR . . . . . 0.579 HG22 ' H ' ' A' ' 450' ' ' ALA . 2.1 m -83.63 -171.16 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.365 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.579 ' H ' HG22 ' A' ' 449' ' ' THR . . . -80.67 100.15 8.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.589 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -63.99 132.07 95.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.658 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -75.05 121.9 7.77 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.981 0.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.658 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -0.47 -118.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.751 ' CG1' HD11 ' A' ' 467' ' ' ILE . 0.3 OUTLIER -132.36 157.56 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.262 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -78.84 106.07 10.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' MET . . . . . 0.899 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -42.18 120.85 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.94 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 457' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 466' ' ' LYS . 41.6 mm-40 -52.68 174.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.52 133.83 34.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.84 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -113.74 108.04 16.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' ' 461' ' ' ILE . 10.6 pt-20 -63.25 -18.77 63.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' A' ' 462' ' ' SER . 1.0 OUTLIER -29.66 -47.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.2 m 155.73 60.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 77.98 47.6 8.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.84 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 4.2 m-85 -125.14 177.33 6.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.899 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -122.96 144.91 48.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.836 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 50.9 mtpt -125.01 146.28 49.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 0.868 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.5 tp -151.28 128.89 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 468' ' ' THR . . . . . 0.784 HG23 ' OG1' ' A' ' 427' ' ' THR . 3.4 m -125.0 121.24 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 1.002 HG11 ' CE1' ' A' ' 441' ' ' TYR . 15.0 t -130.9 140.48 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 425' ' ' LYS . 3.2 t70 -89.97 146.75 24.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.971 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 7.3 pt -116.21 -14.38 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 74.01 -101.42 1.22 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.7 -12.83 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.803 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 0.971 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -52.71 124.58 14.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 1.4 t -74.19 -15.61 61.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.003 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -156.77 163.28 39.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.271 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.86 134.98 32.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 0.5 OUTLIER -102.02 129.26 48.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.532 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -147.69 162.02 40.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 480' ' ' ALA . . . . . 0.45 ' O ' ' CD1' ' A' ' 439' ' ' ILE . . . -138.67 168.7 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.605 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.7 t80 -110.49 146.67 35.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.518 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 3.6 p30 -162.17 146.85 12.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.557 ' OD2' ' CZ ' ' A' ' 434' ' ' PHE . 30.7 p30 -89.4 30.45 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.56 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 38.59 28.67 0.06 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 485' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 483' ' ' ASP . 1.0 OUTLIER -122.43 -47.82 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 109.276 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 171.4 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 487' ' ' ASN . . . . . 0.422 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 42.2 m-80 -75.38 111.76 10.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 488' ' ' TRP . . . . . 0.428 ' CD1' ' HB2' ' A' ' 482' ' ' ASN . 11.9 m0 -113.57 167.56 10.5 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 489' ' ' ASP . . . . . 0.419 ' CG ' ' OH ' ' A' ' 505' ' ' TYR . 11.9 t0 -148.51 107.32 3.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 492' ' ' ASN . 1.7 p -131.47 175.6 9.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.445 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 61.2 t30 -38.14 -29.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.5 m-20 160.46 -23.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 2.5 t 178.61 29.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.403 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 10.0 mttt -146.43 -71.59 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 494' ' ' LYS . 6.5 p-10 156.76 167.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 1.046 ' CD1' HD11 ' A' ' 516' ' ' ILE . 84.3 m-85 -94.46 156.98 16.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 28.3 t -120.0 136.37 54.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -134.22 140.75 46.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.526 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -99.14 151.16 21.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.028 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.869 HG22 HD11 ' A' ' 471' ' ' ILE . 23.9 p -27.75 140.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.438 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 122.57 -150.67 16.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.919 HG23 ' HB ' ' A' ' 427' ' ' THR . 10.4 m -127.98 136.59 51.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 110.422 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.87 147.53 52.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.96 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.423 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 8.5 m -108.26 138.77 43.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 505' ' ' TYR . . . . . 0.419 ' OH ' ' CG ' ' A' ' 489' ' ' ASP . 11.9 t80 -120.8 125.56 47.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.755 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.8 m -131.86 147.03 64.29 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.444 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 507' ' ' PRO . . . . . 0.755 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo -74.98 144.36 30.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.546 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -92.48 -138.8 8.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.423 1.077 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 509' ' ' ASN . . . . . 0.546 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 4.0 p30 152.58 105.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 510' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 512' ' ' ASN . 3.3 m 64.1 111.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 77.24 -40.38 1.72 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 512' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 510' ' ' SER . 5.8 m-80 -87.33 160.92 18.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -160.76 97.54 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 50.43 101.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.15 140.43 29.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.399 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 1.046 HD11 ' CD1' ' A' ' 496' ' ' TYR . 4.8 mt -123.5 137.91 55.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 517' ' ' THR . . . . . 0.423 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.1 OUTLIER -128.57 161.34 29.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.422 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 6.2 m -104.56 92.26 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.944 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 127.0 131.99 3.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.512 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -60.12 155.17 46.64 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 150.93 38.97 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -111.42 56.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -47.09 175.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 422' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 422' ' ' THR . 4.7 t -167.22 103.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 0.773 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 160.65 81.23 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.409 ' H ' ' CA ' ' A' ' 472' ' ' GLY . 12.8 m120 -123.78 156.22 36.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.18 139.14 52.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.653 HG11 HD12 ' A' ' 477' ' ' LEU . 29.1 t -129.17 128.49 66.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 427' ' ' THR . . . . . 0.79 ' HB ' HG23 ' A' ' 502' ' ' THR . 88.3 m -117.81 133.58 55.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.36 121.91 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.702 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 14.1 m-30 -113.09 114.4 26.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.587 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 28.3 t80 -107.9 139.86 41.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 9.8 tttt -63.0 140.21 58.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.6 ttmm -76.26 105.2 7.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -123.15 13.27 8.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.595 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 32.5 m-85 -145.59 -64.1 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.595 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 7.8 p-10 148.34 -54.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.476 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 24.4 p -137.93 61.06 26.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.1 Cg_endo -75.02 146.23 32.31 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.506 1.793 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.57 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 56.0 m-85 -94.19 148.83 21.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.531 HD13 ' N ' ' A' ' 440' ' ' HIS . 0.1 OUTLIER -131.63 119.47 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.578 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 5.2 t60 -93.44 125.8 38.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 1.073 ' CE1' HG11 ' A' ' 469' ' ' VAL . 8.7 p90 -133.98 153.13 51.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.499 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.3 ttt180 -156.38 126.26 3.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.44 17.79 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.7 99.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.39 2.98 29.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -107.02 -149.39 15.86 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.97 157.63 40.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.578 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 50.5 m95 -73.18 156.88 38.14 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 449' ' ' THR . . . . . 0.481 HG22 ' H ' ' A' ' 450' ' ' ALA . 1.3 m -83.6 -174.24 5.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.481 ' H ' HG22 ' A' ' 449' ' ' THR . . . -76.85 97.72 4.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.658 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -62.36 137.79 96.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.659 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.0 119.52 6.02 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.026 -0.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.659 ' C ' ' O ' ' A' ' 452' ' ' PRO . . . 8.37 -126.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.92 150.74 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -69.89 111.34 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' MET . . . . . 0.989 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 24.8 mtm -50.84 126.83 16.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 457' ' ' GLN . . . . . 0.436 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 9.6 mm100 -53.91 174.4 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.251 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.36 131.89 35.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.88 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -108.57 117.11 33.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 461' ' ' ILE . 11.3 pt-20 -67.52 -19.7 65.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.557 ' O ' ' CB ' ' A' ' 462' ' ' SER . 0.9 OUTLIER -29.58 -45.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.3 m 154.29 58.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 78.34 52.45 5.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.053 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.659 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 1.9 m-85 -126.96 -178.13 4.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 111.018 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.989 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -125.06 146.06 49.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.88 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 47.4 mtpt -130.21 143.76 50.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 0.98 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.2 tp -151.0 130.63 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 468' ' ' THR . . . . . 0.783 HG23 ' OG1' ' A' ' 427' ' ' THR . 5.3 m -127.28 121.78 32.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.41 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 1.073 HG11 ' CE1' ' A' ' 441' ' ' TYR . 4.2 t -132.24 137.68 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 472' ' ' GLY . 4.4 t70 -82.51 146.48 29.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.611 HD11 HG22 ' A' ' 500' ' ' THR . 16.7 pt -125.79 7.83 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.678 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -26.09 116.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.039 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.678 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 4.7 t 102.02 -12.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.977 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 0.479 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -114.74 130.1 56.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.42 -11.84 59.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -154.75 161.37 41.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.952 HD22 ' N ' ' A' ' 478' ' ' GLU . 0.0 OUTLIER -132.46 142.07 49.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.952 ' N ' HD22 ' A' ' 477' ' ' LEU . 0.5 OUTLIER -115.18 128.93 56.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.572 ' HA ' ' O ' ' A' ' 440' ' ' HIS . . . -147.23 163.54 36.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 480' ' ' ALA . . . . . 0.808 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -138.03 168.43 19.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.587 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.3 t80 -109.4 145.12 36.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.606 ' OD1' ' CE3' ' A' ' 488' ' ' TRP . 0.4 OUTLIER -162.17 138.75 7.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.527 ' CB ' ' CE2' ' A' ' 434' ' ' PHE . 18.1 p-10 -80.14 -10.02 59.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.57 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 83.0 -13.53 43.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 485' ' ' ASN . . . . . 0.551 ' O ' ' CB ' ' A' ' 486' ' ' ASN . 2.3 t-20 -77.87 -31.21 51.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 486' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 485' ' ' ASN . 0.9 OUTLIER 152.49 -18.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.261 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 487' ' ' ASN . . . . . 0.452 ' ND2' ' OD2' ' A' ' 483' ' ' ASP . 19.5 m-80 -83.23 113.21 20.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 488' ' ' TRP . . . . . 0.606 ' CE3' ' OD1' ' A' ' 482' ' ' ASN . 14.0 m95 -113.43 170.05 8.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 489' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 481' ' ' PHE . 0.1 OUTLIER -149.83 108.37 3.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 492' ' ' ASN . 59.7 p -129.44 178.98 6.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.017 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.574 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 23.9 t-20 -67.76 58.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.576 ' O ' ' HB ' ' A' ' 493' ' ' THR . 4.8 t-20 89.17 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.576 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 0.9 OUTLIER 168.55 39.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.476 ' O ' ' ND2' ' A' ' 495' ' ' ASN . 0.0 OUTLIER -143.53 -74.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 0.808 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 1.2 m-80 160.06 156.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 0.783 ' CD1' HD11 ' A' ' 516' ' ' ILE . 61.2 m-85 -85.17 151.6 23.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 15.3 t -115.15 133.97 55.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 498' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 498' ' ' PHE . 0.6 OUTLIER -135.19 143.19 46.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.55 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -99.61 145.46 27.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.611 HG22 HD11 ' A' ' 471' ' ' ILE . 45.4 p -26.62 139.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 125.5 -144.95 15.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.79 HG23 ' HB ' ' A' ' 427' ' ' THR . 10.0 m -129.75 137.96 50.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.413 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.7 p -133.03 148.75 52.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.415 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 5.1 m -108.09 139.0 43.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.438 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 505' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 2.1 t80 -123.06 123.67 41.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.692 HG23 ' HD2' ' A' ' 507' ' ' PRO . 4.0 m -130.46 146.05 60.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.397 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 507' ' ' PRO . . . . . 0.692 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.4 Cg_endo -74.97 145.15 31.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 512' ' ' ASN . . . -92.01 -130.26 5.0 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 509' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 164.88 85.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.8 -81.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -57.11 -21.86 40.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 512' ' ' ASN . . . . . 0.403 ' CB ' ' HA3' ' A' ' 508' ' ' GLY . 4.2 m120 -117.52 160.99 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -149.89 92.43 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 49.06 100.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.552 1.158 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.84 139.74 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 0.783 HD11 ' CD1' ' A' ' 496' ' ' TYR . 3.1 mt -123.43 139.57 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 517' ' ' THR . . . . . 0.415 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.0 OUTLIER -128.55 162.3 27.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 13.6 p -108.01 92.94 4.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 126.88 133.45 3.82 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.07 153.33 46.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 0.799 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 150.98 39.0 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -114.82 59.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 107.89 130.71 6.36 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 422' ' ' THR . . . . . 0.403 ' HG1' ' CG ' ' A' ' 470' ' ' ASP . 8.7 t -87.43 169.36 12.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.403 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 423' ' ' GLY . . . . . 0.484 ' N ' ' HA2' ' A' ' 472' ' ' GLY . . . 162.66 -69.78 0.22 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.503 ' HB3' HG22 ' A' ' 500' ' ' THR . 17.9 m120 -86.55 152.92 22.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 146.7 50.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.501 HG11 HD12 ' A' ' 477' ' ' LEU . 13.6 t -132.05 124.21 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 427' ' ' THR . . . . . 0.794 ' HB ' HG23 ' A' ' 502' ' ' THR . 88.1 m -111.89 135.09 52.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.444 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.2 mp -132.12 122.66 49.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.696 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.3 m-30 -114.33 111.32 21.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.652 ' CE1' ' O ' ' A' ' 431' ' ' LYS . 0.1 OUTLIER -107.18 139.18 42.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.652 ' O ' ' CE1' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -62.65 139.98 58.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 1.4 ttmm -72.86 114.67 11.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -124.43 1.36 8.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 483' ' ' ASP . 1.0 OUTLIER -135.68 -68.25 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 111.016 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.5 p30 152.97 -29.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 97.5 p -164.24 60.4 0.81 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.054 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 430' ' ' TYR . 18.3 Cg_endo -74.97 160.5 40.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.572 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 27.8 m-85 -104.97 150.87 24.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.644 HG21 HG21 ' A' ' 467' ' ' ILE . 0.3 OUTLIER -131.5 118.98 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.481 ' CD2' ' H ' ' A' ' 449' ' ' THR . 1.8 t-160 -92.27 123.55 35.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.61 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.937 ' CD1' HG11 ' A' ' 469' ' ' VAL . 7.1 p90 -125.95 151.13 47.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.538 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.0 ttt180 -152.23 122.84 3.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.33 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 443' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.1 Cg_endo -75.03 134.08 17.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.55 1.816 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -52.94 98.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.85 4.22 28.02 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -108.98 -150.91 14.25 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.5 156.79 38.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.538 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 33.8 m95 -71.06 160.02 33.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 449' ' ' THR . . . . . 0.481 ' H ' ' CD2' ' A' ' 440' ' ' HIS . 0.2 OUTLIER -82.24 -178.91 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -78.84 99.43 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.66 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -57.32 140.19 79.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.0 120.01 6.36 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.017 -0.05 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.66 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.81 -129.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.552 HG11 ' HE2' ' A' ' 441' ' ' TYR . 10.2 p -132.6 139.76 49.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -60.1 121.37 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' MET . . . . . 0.9 ' HA ' HD13 ' A' ' 467' ' ' ILE . 34.7 mtp -70.91 138.06 49.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.24 174.32 5.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.82 135.28 35.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.868 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -111.0 106.24 15.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.1 pt-20 -60.92 -13.38 15.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.571 ' O ' ' CB ' ' A' ' 462' ' ' SER . 3.6 mm -32.84 -46.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 153.72 44.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.936 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.13 48.34 2.26 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.859 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.6 m-85 -129.24 -177.2 4.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.812 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -125.15 150.27 47.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.868 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 47.5 mtpt -129.47 148.45 51.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 0.9 HD13 ' HA ' ' A' ' 456' ' ' MET . 4.9 tp -150.6 129.36 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 468' ' ' THR . . . . . 0.425 HG23 ' OG1' ' A' ' 427' ' ' THR . 1.8 m -121.35 119.26 31.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.937 HG11 ' CD1' ' A' ' 441' ' ' TYR . 25.5 t -129.84 128.67 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 472' ' ' GLY . 2.9 t70 -83.71 146.64 28.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.831 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 9.2 pt -120.3 -10.26 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.484 ' HA2' ' N ' ' A' ' 423' ' ' GLY . . . 72.87 -100.36 1.01 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.73 -13.99 15.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 0.831 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -40.05 130.83 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.61 -22.02 60.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -157.41 163.25 38.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.982 ' C ' HD13 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -136.83 141.33 42.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.614 ' N ' HD22 ' A' ' 477' ' ' LEU . 0.2 OUTLIER -97.98 142.54 29.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.717 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -134.0 156.17 48.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 480' ' ' ALA . . . . . 0.685 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -145.63 146.81 31.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.521 ' CE1' ' CE2' ' A' ' 430' ' ' TYR . 4.1 t80 -109.76 138.86 45.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 438' ' ' TYR . 2.2 p30 -162.93 135.3 5.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 17.8 p-10 -71.1 -6.77 41.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.572 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 83.21 -16.29 29.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.94 -82.06 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 0.763 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -156.96 18.11 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 487' ' ' ASN . . . . . 0.429 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 52.0 m-80 -120.48 118.34 30.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 488' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -115.12 172.93 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 108.036 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 489' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 481' ' ' PHE . 0.2 OUTLIER -163.44 92.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.694 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -134.04 119.35 18.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.976 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.577 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 10.3 t-20 30.33 42.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.577 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 5.6 t-20 87.98 -44.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.694 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.9 t 178.19 39.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 110.459 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 2.5 mttt -140.34 -74.16 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 0.685 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 1.3 m-20 160.28 139.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 0.717 ' CE1' HD11 ' A' ' 516' ' ' ILE . 33.1 m-85 -83.4 158.5 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 32.7 t -131.91 128.14 37.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.047 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 498' ' ' PHE . . . . . 0.806 ' CE1' HG21 ' A' ' 516' ' ' ILE . 5.7 m-85 -132.99 151.24 52.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -100.24 149.73 23.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.002 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.773 ' CG2' HD11 ' A' ' 471' ' ' ILE . 34.2 p -27.35 140.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 129.0 -148.3 18.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.794 HG23 ' HB ' ' A' ' 427' ' ' THR . 18.1 m -127.49 138.16 52.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.367 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.3 p -136.16 149.42 48.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 2.9 m -115.64 138.86 50.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 505' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 13.8 t80 -119.63 126.45 51.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.787 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.4 m -127.89 147.32 62.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 507' ' ' PRO . . . . . 0.787 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.4 Cg_endo -74.99 144.31 30.13 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.476 ' HA3' ' CB ' ' A' ' 512' ' ' ASN . . . -95.48 -131.93 6.77 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 509' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 165.86 97.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.778 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.08 -86.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -57.29 -33.6 65.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 512' ' ' ASN . . . . . 0.476 ' CB ' ' HA3' ' A' ' 508' ' ' GLY . 26.4 m120 -100.35 160.48 14.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -154.9 97.2 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 43.95 95.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.18 138.14 31.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.37 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 0.806 HG21 ' CE1' ' A' ' 498' ' ' PHE . 2.0 mt -124.04 139.61 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.49 162.23 28.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 2.6 m -106.39 94.08 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 132.37 134.78 3.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.25 156.03 31.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 521' ' ' PRO . . . . . 0.549 ' HG2' HG21 ' A' ' 461' ' ' ILE . 18.2 Cg_endo -75.01 150.12 37.66 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -115.43 57.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -146.75 150.62 22.91 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 1.4 t -113.47 -37.57 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.426 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 92.97 81.94 1.5 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.49 ' HB3' HG22 ' A' ' 500' ' ' THR . 24.2 m120 -108.37 157.97 17.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.567 ' HD2' HG22 ' A' ' 468' ' ' THR . 3.8 tppt? -128.08 142.56 51.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 500' ' ' THR . 13.5 t -129.15 124.76 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 427' ' ' THR . . . . . 0.932 ' HB ' HG23 ' A' ' 502' ' ' THR . 23.8 m -113.69 136.15 53.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.389 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 428' ' ' ILE . . . . . 0.646 HG21 HD11 ' A' ' 439' ' ' ILE . 5.4 mt -132.76 122.85 47.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.719 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 17.5 m-30 -115.14 110.77 20.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.642 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 5.1 t80 -107.91 140.24 41.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.542 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -64.85 140.62 58.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.5 ttmm -74.46 118.5 17.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.83 1.34 6.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 483' ' ' ASP . 0.2 OUTLIER -134.51 -68.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.535 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.6 p30 152.54 -32.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.501 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 79.1 p -157.06 59.72 1.89 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.054 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.501 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.96 152.56 41.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.811 . . . . 0.0 111.064 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.545 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 32.9 m-85 -101.99 146.21 28.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.656 HG21 HG21 ' A' ' 467' ' ' ILE . 7.3 tt -123.49 117.32 50.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.844 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 47.8 t60 -94.04 117.22 29.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.625 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 1.014 ' CE1' HG11 ' A' ' 469' ' ' VAL . 10.4 p90 -130.19 153.89 48.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.588 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.9 ttt180 -151.42 123.71 4.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.12 17.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 474' ' ' ALA . . . -53.25 99.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.39 4.82 28.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -110.69 -151.88 12.77 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.56 156.35 39.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.977 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.844 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 35.1 m95 -68.48 164.44 21.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.023 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 449' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.49 177.48 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -74.03 94.24 2.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.649 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -54.96 139.19 63.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.599 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.97 120.17 6.46 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.004 -0.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.649 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.95 -133.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.842 HG11 HD11 ' A' ' 467' ' ' ILE . 2.6 p -132.26 135.76 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -57.24 109.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' MET . . . . . 0.817 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -52.9 124.93 15.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 457' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 466' ' ' LYS . 6.8 mm100 -51.3 174.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.45 134.02 34.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.881 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -113.8 103.37 11.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.1 pt-20 -60.08 -15.5 23.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.567 ' O ' ' CB ' ' A' ' 462' ' ' SER . 5.2 mm -28.95 -47.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.3 m 153.85 44.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.49 47.48 2.15 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.881 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 4.0 m-85 -128.73 177.06 7.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.817 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -122.31 147.72 45.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.853 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 54.2 mtpt -130.32 144.0 51.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 0.842 HD11 HG11 ' A' ' 454' ' ' VAL . 0.2 OUTLIER -150.55 130.06 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 468' ' ' THR . . . . . 0.731 HG23 ' OG1' ' A' ' 427' ' ' THR . 5.2 m -123.77 127.84 48.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 1.014 HG11 ' CE1' ' A' ' 441' ' ' TYR . 4.4 t -133.18 136.37 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -85.36 145.48 27.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.859 HD11 ' CG2' ' A' ' 500' ' ' THR . 8.4 pt -129.33 24.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.648 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -48.28 83.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.9 m 147.1 -15.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 444' ' ' ALA . . . -125.9 141.26 52.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.113 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 15.2 m -88.75 1.84 54.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -155.36 146.79 22.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 110.345 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.958 ' C ' HD13 ' A' ' 477' ' ' LEU . 0.1 OUTLIER -131.7 141.68 49.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.563 ' N ' HD13 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -99.35 145.32 27.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.217 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.624 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -140.04 158.23 44.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 480' ' ' ALA . . . . . 0.764 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -151.06 151.22 31.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.642 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.3 t80 -110.81 139.87 45.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.501 ' HB3' ' CD2' ' A' ' 488' ' ' TRP . 0.4 OUTLIER -161.41 144.05 12.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.55 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 30.0 p-10 -91.12 31.93 1.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.545 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 37.13 30.58 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 485' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 483' ' ' ASP . 0.3 OUTLIER -124.6 -74.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.314 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -152.4 -27.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 487' ' ' ASN . . . . . 0.434 ' O ' ' HA ' ' A' ' 482' ' ' ASN . 22.0 m-80 -75.32 112.37 11.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 488' ' ' TRP . . . . . 0.501 ' CD2' ' HB3' ' A' ' 482' ' ' ASN . 51.1 m95 -123.1 97.03 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 107.993 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 489' ' ' ASP . . . . . 0.49 ' HB2' ' CD2' ' A' ' 481' ' ' PHE . 0.9 OUTLIER -80.32 114.37 19.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 492' ' ' ASN . 83.0 p -133.06 177.74 7.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.586 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 27.1 t30 -68.32 57.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.621 ' O ' ' HB ' ' A' ' 493' ' ' THR . 7.0 t-20 90.32 -35.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.621 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 0.6 OUTLIER 163.22 40.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 8.6 mttm -144.78 -68.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 0.764 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 9.3 m-20 152.31 155.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 0.905 ' CD1' HD11 ' A' ' 516' ' ' ILE . 65.8 m-85 -86.48 157.24 19.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 497' ' ' SER . . . . . 0.539 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 1.5 t -131.3 137.25 48.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 498' ' ' PHE . . . . . 1.019 ' CE1' HG21 ' A' ' 516' ' ' ILE . 9.9 m-85 -142.17 141.97 32.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.549 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -90.44 149.92 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.859 ' CG2' HD11 ' A' ' 471' ' ' ILE . 22.2 p -26.54 138.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 130.0 -148.4 18.47 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.932 HG23 ' HB ' ' A' ' 427' ' ' THR . 5.9 m -128.18 137.9 52.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 5.1 p -133.86 148.73 51.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.419 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 3.9 m -110.74 139.27 46.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 505' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 20.4 t80 -121.32 125.31 46.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.81 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.2 m -130.65 147.8 67.52 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 507' ' ' PRO . . . . . 0.81 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo -74.98 144.96 30.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 512' ' ' ASN . . . -90.88 -133.93 5.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 509' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 168.14 87.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.76 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.47 -89.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -53.69 -35.15 51.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 512' ' ' ASN . . . . . 0.485 ' HB2' ' CA ' ' A' ' 508' ' ' GLY . 4.4 m120 -97.86 160.41 14.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -152.57 94.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 47.53 98.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.84 138.49 31.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 0.798 . . . . 0.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 1.019 HG21 ' CE1' ' A' ' 498' ' ' PHE . 2.5 mt -123.39 138.19 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 517' ' ' THR . . . . . 0.419 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.3 OUTLIER -128.49 162.11 27.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 5.1 m -105.41 93.43 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 128.68 132.08 3.49 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.34 155.84 33.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.63 37.02 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -115.63 58.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -177.29 63.11 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 2.9 m -129.91 121.44 26.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.343 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -152.36 -73.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.542 ' HB3' HG22 ' A' ' 500' ' ' THR . 3.1 m-80 -129.72 163.47 26.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -123.4 152.18 41.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.516 HG11 HD12 ' A' ' 477' ' ' LEU . 39.3 t -127.05 132.81 69.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 427' ' ' THR . . . . . 0.839 ' HB ' HG23 ' A' ' 502' ' ' THR . 53.0 m -122.25 132.5 54.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.427 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 428' ' ' ILE . . . . . 0.568 HG21 HD11 ' A' ' 439' ' ' ILE . 1.6 mt -132.21 123.19 50.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.708 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.5 m-30 -114.37 110.82 20.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 431' ' ' LYS . 16.5 t80 -105.59 139.01 40.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.611 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -64.98 139.52 58.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 0.4 OUTLIER -73.9 112.05 9.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -121.19 0.04 11.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.569 ' O ' ' ND2' ' A' ' 435' ' ' ASN . 0.7 OUTLIER -134.28 -69.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 111.033 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.569 ' ND2' ' O ' ' A' ' 434' ' ' PHE . 2.7 p30 155.18 -41.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.497 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 28.8 t -147.71 60.03 5.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.97 153.25 41.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 9.8 m-30 -103.25 149.69 24.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.568 HD11 HG21 ' A' ' 428' ' ' ILE . 3.7 tt -132.46 118.09 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.546 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 1.9 t-160 -92.93 121.8 34.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.572 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.915 ' CE1' HG11 ' A' ' 469' ' ' VAL . 7.2 p90 -124.65 151.24 45.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.586 ' O ' HD22 ' A' ' 477' ' ' LEU . 2.4 ttt180 -152.2 121.29 3.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.97 18.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -52.21 104.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 104.95 6.46 39.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.123 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -110.21 -150.2 12.66 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.88 154.54 46.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.53 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 36.6 m95 -69.05 157.2 37.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 449' ' ' THR . . . . . 0.488 HG22 ' H ' ' A' ' 450' ' ' ALA . 1.4 m -77.6 -175.81 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.488 ' H ' HG22 ' A' ' 449' ' ' THR . . . -77.8 95.54 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.65 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.23 139.26 65.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.607 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.94 120.37 6.58 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.977 -2.509 . . . . 0.0 111.028 -0.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.65 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.79 -137.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.624 HG11 ' HE2' ' A' ' 441' ' ' TYR . 9.9 p -133.28 141.71 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.259 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.72 132.56 52.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' MET . . . . . 0.715 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -76.93 127.88 33.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 457' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 466' ' ' LYS . 14.7 mm-40 -53.9 175.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.3 135.09 33.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.887 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -114.84 103.45 10.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.1 pt-20 -61.43 -14.11 25.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.531 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.1 mm -29.95 -48.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 156.88 43.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.16 48.16 2.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.887 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 6.1 m-85 -129.99 173.6 10.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.715 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -116.64 150.47 38.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.853 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 54.8 mtpt -130.08 146.13 51.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.254 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 0.493 HG21 HD13 ' A' ' 439' ' ' ILE . 0.0 OUTLIER -149.48 128.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 468' ' ' THR . . . . . 0.513 HG23 ' OG1' ' A' ' 427' ' ' THR . 2.5 m -123.99 123.89 41.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.915 HG11 ' CE1' ' A' ' 441' ' ' TYR . 5.6 t -134.63 137.68 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -85.55 146.33 26.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.846 HD11 ' CG2' ' A' ' 500' ' ' THR . 7.7 pt -123.31 -0.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.649 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -17.51 114.08 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.5 t 99.15 -9.34 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 0.605 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -114.27 135.09 54.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.53 -10.98 57.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -154.87 163.78 39.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.976 ' C ' HD13 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -142.73 141.12 31.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.579 ' N ' HD22 ' A' ' 477' ' ' LEU . 0.4 OUTLIER -96.63 147.56 23.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.847 ' HB3' ' CE1' ' A' ' 498' ' ' PHE . . . -137.91 155.88 48.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 480' ' ' ALA . . . . . 1.011 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -145.06 148.71 33.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.576 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 4.9 t80 -110.27 145.45 37.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.571 ' OD1' ' CE3' ' A' ' 488' ' ' TRP . 0.4 OUTLIER -161.3 136.63 7.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.567 ' HB3' ' CE1' ' A' ' 434' ' ' PHE . 4.7 p-10 -75.3 -6.65 50.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.448 ' HA2' ' CD2' ' A' ' 438' ' ' TYR . . . 85.07 -12.55 57.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.05 -83.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -157.01 17.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 487' ' ' ASN . . . . . 0.405 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 11.2 m-80 -119.61 119.26 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 488' ' ' TRP . . . . . 0.571 ' CE3' ' OD1' ' A' ' 482' ' ' ASN . 9.8 m95 -112.6 176.51 4.99 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 489' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 481' ' ' PHE . 0.1 OUTLIER -149.92 108.76 3.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 492' ' ' ASN . 9.9 p -124.37 178.71 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.578 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 22.7 t-20 -67.14 59.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.578 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 47.4 t30 89.41 -38.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.523 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 1.3 t 174.13 36.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.404 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.427 ' N ' ' OG ' ' A' ' 490' ' ' SER . 45.6 mttt -144.76 -78.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 1.011 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 0.6 OUTLIER 163.23 149.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 0.926 ' CD1' HD11 ' A' ' 516' ' ' ILE . 71.0 m-85 -77.33 155.35 32.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 497' ' ' SER . . . . . 0.462 ' C ' ' CD1' ' A' ' 498' ' ' PHE . 17.2 t -125.91 138.23 53.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 498' ' ' PHE . . . . . 0.847 ' CE1' ' HB3' ' A' ' 479' ' ' ALA . 0.5 OUTLIER -140.78 140.04 34.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.564 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -92.93 147.29 22.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.988 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.846 ' CG2' HD11 ' A' ' 471' ' ' ILE . 32.2 p -25.21 136.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 130.02 -147.47 18.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.839 HG23 ' HB ' ' A' ' 427' ' ' THR . 7.4 m -129.61 138.32 51.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 0.775 . . . . 0.0 110.39 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 59.7 p -135.32 149.6 49.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.058 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.447 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 5.2 m -108.42 138.91 43.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 505' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 2.4 t80 -118.63 124.29 47.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.843 HG23 ' HD2' ' A' ' 507' ' ' PRO . 1.6 m -132.79 148.42 69.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 507' ' ' PRO . . . . . 0.843 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo -75.03 144.65 30.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -105.26 -137.66 9.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 509' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 1.1 m-20 155.58 169.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 510' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' A' ' 511' ' ' GLY . 96.3 p 56.47 -96.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 511' ' ' GLY . . . . . 0.498 ' N ' ' OG ' ' A' ' 510' ' ' SER . . . -102.56 -8.68 42.74 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 512' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -105.12 161.96 13.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.368 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -171.04 102.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 71.17 91.22 0.09 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.444 1.09 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 515' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 506' ' ' THR . 0.8 OUTLIER -94.15 141.97 27.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.421 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 0.926 HD11 ' CD1' ' A' ' 496' ' ' TYR . 2.7 mt -122.36 139.36 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 517' ' ' THR . . . . . 0.447 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.0 OUTLIER -129.66 161.57 30.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.415 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 12.4 m -105.82 93.63 4.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 124.0 133.99 4.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.535 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -58.73 156.31 25.25 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.29 36.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.519 1.8 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -108.91 54.4 0.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 111.026 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 158.06 -146.39 13.28 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 2.9 m -54.24 127.97 29.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 110.395 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 423' ' ' GLY . . . . . 0.417 ' HA3' ' CA ' ' A' ' 472' ' ' GLY . . . -119.53 -90.56 1.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.494 ' CG ' HG21 ' A' ' 500' ' ' THR . 15.5 m-80 -115.26 162.93 16.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.35 144.81 51.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.516 HG11 HD23 ' A' ' 477' ' ' LEU . 14.0 t -128.78 124.98 62.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 427' ' ' THR . . . . . 0.922 ' HB ' HG23 ' A' ' 502' ' ' THR . 97.8 m -115.24 135.47 54.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.2 mp -133.22 123.27 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.649 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.9 m-30 -114.17 111.29 21.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.597 ' CE1' ' O ' ' A' ' 431' ' ' LYS . 1.3 t80 -107.79 140.64 40.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.597 ' O ' ' CE1' ' A' ' 430' ' ' TYR . 12.4 tmtt? -63.9 140.96 58.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.9 ttmm -78.7 107.48 11.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -122.91 9.61 9.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.645 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 14.2 m-85 -138.87 -59.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.645 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 3.8 t30 143.98 -56.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.487 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 3.2 m -135.33 60.35 38.08 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.487 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.1 Cg_endo -75.03 151.2 39.11 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.586 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 7.6 m-85 -102.48 152.42 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.175 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.51 ' CG2' HG12 ' A' ' 467' ' ' ILE . 0.0 OUTLIER -133.96 124.41 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.677 ' O ' ' HB1' ' A' ' 479' ' ' ALA . 1.9 t-160 -92.87 140.84 29.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.974 ' CD1' HG11 ' A' ' 469' ' ' VAL . 10.2 p90 -144.56 151.69 39.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.701 ' C ' HD12 ' A' ' 477' ' ' LEU . 1.0 OUTLIER -157.3 123.96 2.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.76 15.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' ALA . . . . . 0.68 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -52.08 105.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 109.69 -0.61 30.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -102.74 -139.68 10.58 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.94 155.26 47.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.592 ' CZ3' ' HB3' ' A' ' 442' ' ' ARG . 49.0 m95 -68.56 157.28 36.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 108.044 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 449' ' ' THR . . . . . 0.818 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.6 OUTLIER -89.28 159.55 17.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -59.6 94.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.443 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -55.53 128.0 67.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.605 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.93 138.33 55.45 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.043 -2.482 . . . . 0.0 111.016 -0.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.605 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -35.9 -103.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 13.0 p -130.83 152.46 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.751 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -78.06 120.0 22.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' MET . . . . . 0.878 ' HA ' HD13 ' A' ' 467' ' ' ILE . 0.0 OUTLIER -52.75 117.55 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.053 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 457' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 1.7 mt-30 -52.64 174.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.62 135.65 35.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.862 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -113.96 104.92 12.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.3 pt-20 -60.36 -14.27 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.554 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.8 mm -31.14 -47.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.9 OUTLIER 155.22 44.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.17 47.09 2.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.862 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.5 m-85 -127.71 -176.98 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.754 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.837 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -127.11 147.17 50.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.839 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 47.2 mtpt -127.04 148.61 50.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 0.878 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.3 tp -150.3 133.0 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 468' ' ' THR . . . . . 0.565 HG23 ' OG1' ' A' ' 427' ' ' THR . 2.5 m -126.4 123.41 37.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.974 HG11 ' CD1' ' A' ' 441' ' ' TYR . 3.4 t -131.85 134.82 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -85.17 146.05 27.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.872 HD11 ' CG2' ' A' ' 500' ' ' THR . 10.9 pt -132.12 23.65 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.658 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -48.53 83.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.658 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.9 m 146.13 -14.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 0.68 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -124.22 132.57 53.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -7.58 53.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 476' ' ' GLN . . . . . 0.416 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 15.9 mt-30 -152.73 161.47 42.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.701 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -137.23 131.65 32.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 1.3 tt0 -101.24 125.4 47.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.677 ' HB1' ' O ' ' A' ' 440' ' ' HIS . . . -135.08 161.89 34.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -132.84 166.37 22.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 482' ' ' ASN . 5.2 t80 -111.32 141.55 44.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.518 ' HB3' ' CD2' ' A' ' 488' ' ' TRP . 0.4 OUTLIER -160.43 141.95 12.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.559 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 7.2 p-10 -75.25 -22.72 57.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.586 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 106.04 -16.93 42.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.03 -84.51 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -155.63 18.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 487' ' ' ASN . . . . . 0.404 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 35.1 m-80 -117.82 120.01 36.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 488' ' ' TRP . . . . . 0.518 ' CD2' ' HB3' ' A' ' 482' ' ' ASN . 34.2 m95 -116.6 177.67 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 489' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 481' ' ' PHE . 0.1 OUTLIER -156.79 109.86 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 492' ' ' ASN . 2.7 p -132.66 176.49 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 46.5 t30 -38.56 -28.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.8 m-20 158.27 -22.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.475 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 1.7 t 178.19 27.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.382 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.468 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 13.0 mtpt -142.67 -73.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 494' ' ' LYS . 3.9 p30 158.42 -175.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 0.504 ' CB ' ' CZ ' ' A' ' 498' ' ' PHE . 28.5 m-85 -110.36 153.39 25.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.4 t -122.1 136.11 54.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 498' ' ' PHE . . . . . 0.728 ' HE2' HG21 ' A' ' 516' ' ' ILE . 3.2 m-85 -138.74 142.28 38.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.508 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -94.0 148.77 21.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.872 ' CG2' HD11 ' A' ' 471' ' ' ILE . 31.7 p -30.2 143.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.15 -144.31 15.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.436 1.085 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.922 HG23 ' HB ' ' A' ' 427' ' ' THR . 3.8 m -130.14 137.91 50.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 110.412 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.69 148.56 52.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.411 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 7.5 m -115.12 138.34 51.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.437 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 505' ' ' TYR . . . . . 0.515 ' CD2' HG12 ' A' ' 516' ' ' ILE . 18.0 t80 -122.63 121.3 36.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 2.9 m -124.28 135.29 26.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 507' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.51 29.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.576 ' HA3' ' HB3' ' A' ' 512' ' ' ASN . . . -91.66 -59.82 1.32 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 509' ' ' ASN . . . . . 0.538 ' N ' ' HB3' ' A' ' 512' ' ' ASN . 1.2 m120 152.44 -175.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 0.777 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.32 -85.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.018 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -57.29 -28.66 59.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 512' ' ' ASN . . . . . 0.576 ' HB3' ' HA3' ' A' ' 508' ' ' GLY . 0.6 OUTLIER -73.22 165.81 24.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.257 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -113.11 -136.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -126.63 121.13 3.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.575 1.172 . . . . 0.0 111.035 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.69 138.4 31.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 110.414 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 0.728 HG21 ' HE2' ' A' ' 498' ' ' PHE . 4.0 mt -123.78 137.7 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 517' ' ' THR . . . . . 0.411 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.8 OUTLIER -126.79 162.44 25.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.43 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 51.1 p -105.17 90.99 3.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 132.98 130.83 3.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.63 156.19 34.71 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 150.31 38.19 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -116.28 60.28 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 421' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 422' ' ' THR . . . 141.97 -45.97 0.91 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 422' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 421' ' ' GLY . 0.5 OUTLIER 60.16 142.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 110.369 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 172.76 -72.15 0.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.476 ' N ' ' HA2' ' A' ' 472' ' ' GLY . 3.3 m120 -127.06 156.74 41.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.71 142.46 50.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.471 HG11 HD23 ' A' ' 477' ' ' LEU . 13.0 t -126.55 121.58 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 427' ' ' THR . . . . . 0.905 ' HB ' HG23 ' A' ' 502' ' ' THR . 92.6 m -111.34 131.73 54.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.76 122.81 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.65 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.5 m-30 -113.88 115.41 27.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.632 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 1.4 t80 -107.51 139.62 41.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.54 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.7 OUTLIER -63.33 140.41 58.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.4 ttmm -77.99 113.2 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.81 11.66 6.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.573 1.17 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.563 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 1.1 m-85 -143.05 -65.81 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 0.771 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.563 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 5.1 p30 151.06 -41.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.47 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 90.4 p -149.13 61.47 5.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.956 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.05 147.51 33.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.445 1.761 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.577 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 38.2 m-85 -98.17 151.92 19.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.804 HD13 ' C ' ' A' ' 439' ' ' ILE . 0.0 OUTLIER -131.03 119.24 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.839 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 49.8 t60 -93.48 117.18 29.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.563 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 1.01 ' CE1' HG11 ' A' ' 469' ' ' VAL . 6.3 p90 -131.92 152.46 51.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.655 ' C ' HD12 ' A' ' 477' ' ' LEU . 2.5 ttp180 -150.27 127.07 5.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 132.74 15.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -55.0 98.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 117.62 -3.63 17.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -108.38 -145.78 11.76 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 447' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 448' ' ' TRP . 12.4 t -124.28 -179.01 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 110.002 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.839 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 69.4 m95 -91.48 169.99 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 449' ' ' THR . . . . . 0.671 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.7 OUTLIER -91.11 177.05 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.489 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -73.71 94.2 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.604 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -54.01 132.14 58.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.638 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.03 121.26 7.25 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.004 0.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.638 ' C ' ' O ' ' A' ' 452' ' ' PRO . . . 10.42 -126.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.44 1.088 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 439' ' ' ILE . 9.8 p -133.97 135.09 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' LYS . . . . . 0.463 ' HE3' ' CB ' ' A' ' 436' ' ' SER . 13.1 tttt -57.75 105.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 456' ' ' MET . . . . . 1.002 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -49.33 129.64 18.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -55.12 174.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.84 135.53 34.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.817 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -111.73 112.36 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.549 ' O ' ' C ' ' A' ' 461' ' ' ILE . 11.6 pt-20 -65.31 -20.38 66.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 462' ' ' SER . 0.9 OUTLIER -28.11 -46.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.0 OUTLIER 154.45 58.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 79.96 52.31 4.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.792 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.1 m-85 -130.05 -174.73 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 1.002 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -127.12 150.35 49.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.817 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 48.7 mtpt -130.47 147.13 52.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 0.996 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.2 tp -150.98 130.12 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 468' ' ' THR . . . . . 0.602 HG23 ' OG1' ' A' ' 427' ' ' THR . 1.7 m -126.52 122.5 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 1.01 HG11 ' CE1' ' A' ' 441' ' ' TYR . 3.5 t -132.69 134.65 58.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -84.23 145.21 28.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.918 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 38.6 pt -123.86 -37.62 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.476 ' HA2' ' N ' ' A' ' 424' ' ' ASN . . . 36.17 -93.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -52.32 -14.45 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 0.918 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -106.3 127.31 53.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.75 -10.47 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 476' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 16.5 mt-30 -154.17 162.56 41.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.655 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -138.85 127.59 23.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 13.7 tt0 -103.65 126.95 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.756 ' HB1' HD11 ' A' ' 439' ' ' ILE . . . -147.22 163.18 37.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 480' ' ' ALA . . . . . 0.695 ' HB2' ' CG ' ' A' ' 495' ' ' ASN . . . -134.77 169.33 17.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.632 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.0 OUTLIER -107.88 143.9 35.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.522 ' HB3' ' CD2' ' A' ' 488' ' ' TRP . 0.7 OUTLIER -160.03 135.93 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.485 ' HB3' ' CE1' ' A' ' 434' ' ' PHE . 11.6 p-10 -68.4 -13.1 62.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.577 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 91.61 -14.54 63.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.55 -84.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -153.35 16.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 487' ' ' ASN . . . . . 0.439 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 4.7 m120 -118.02 118.83 32.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 488' ' ' TRP . . . . . 0.522 ' CD2' ' HB3' ' A' ' 482' ' ' ASN . 24.9 m95 -119.54 175.69 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 489' ' ' ASP . . . . . 0.608 ' OD2' ' CD2' ' A' ' 481' ' ' PHE . 19.0 m-20 -156.18 103.71 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 492' ' ' ASN . 1.6 p -131.47 175.81 8.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 62.8 t30 -38.51 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.5 m-80 159.37 -22.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 1.6 t 177.54 29.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.543 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 7.8 mtpt -146.33 -69.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 0.695 ' CG ' ' HB2' ' A' ' 480' ' ' ALA . 2.5 m-20 152.37 169.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 0.819 ' CD1' HD11 ' A' ' 516' ' ' ILE . 83.3 m-85 -96.1 151.5 19.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 12.0 t -107.75 135.65 48.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -128.08 147.84 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.518 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -108.73 148.76 29.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.765 HG22 HD11 ' A' ' 471' ' ' ILE . 48.3 p -28.97 142.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 119.74 -146.75 18.07 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.905 HG23 ' HB ' ' A' ' 427' ' ' THR . 4.3 m -128.77 136.24 50.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.786 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.11 148.24 51.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.438 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 4.9 m -107.62 138.67 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 505' ' ' TYR . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 481' ' ' PHE . 29.1 t80 -122.5 122.31 38.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.785 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.3 m -128.3 147.25 62.91 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 110.422 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 507' ' ' PRO . . . . . 0.785 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo -74.98 144.4 30.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.494 ' CA ' ' CB ' ' A' ' 512' ' ' ASN . . . -76.22 76.04 1.5 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.57 1.169 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 509' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.12 59.44 3.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 1.2 m 167.2 41.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 79.8 -4.68 64.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 512' ' ' ASN . . . . . 0.494 ' CB ' ' CA ' ' A' ' 508' ' ' GLY . 1.9 m-20 -62.96 160.32 15.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 513' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 514' ' ' GLY . . . -119.54 76.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 514' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 513' ' ' ALA . . . 52.83 106.73 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.89 137.99 31.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 0.735 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 0.819 HD11 ' CD1' ' A' ' 496' ' ' TYR . 6.1 mt -123.62 138.3 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 517' ' ' THR . . . . . 0.438 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.0 OUTLIER -130.0 162.07 29.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.375 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 58.1 m -105.07 92.38 4.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.27 129.28 3.13 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.505 ' CB ' ' CD2' ' A' ' 429' ' ' TYR . . . -59.94 153.37 55.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 521' ' ' PRO . . . . . 0.407 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.3 Cg_endo -74.97 150.12 37.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -106.79 54.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 46.63 83.95 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 13.8 t -163.85 149.82 11.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 0.772 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -171.62 81.74 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.62 ' HB3' HG22 ' A' ' 500' ' ' THR . 12.4 m-80 -91.34 163.22 14.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.557 ' HG2' HG22 ' A' ' 468' ' ' THR . 2.1 tttt -129.02 154.29 46.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.426 HG21 HG21 ' A' ' 471' ' ' ILE . 4.8 t -130.7 125.55 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 427' ' ' THR . . . . . 0.773 ' HB ' HG23 ' A' ' 502' ' ' THR . 40.9 m -108.24 136.57 47.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -132.72 122.06 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.704 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.1 m-30 -114.51 110.58 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.602 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 16.4 t80 -106.59 140.24 39.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.536 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 13.0 tmtt? -62.83 141.66 58.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.7 ttmt -74.29 116.39 14.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.59 8.52 6.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.57 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 1.4 m-85 -143.4 -66.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 5.3 p30 150.89 -30.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.488 ' O ' ' CG ' ' A' ' 455' ' ' LYS . 94.1 p -163.99 59.98 0.81 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.485 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -74.97 150.89 38.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.618 ' CD2' ' HB2' ' A' ' 452' ' ' PRO . 49.6 m-85 -94.52 151.66 19.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.802 HD13 ' N ' ' A' ' 440' ' ' HIS . 0.0 OUTLIER -133.25 124.72 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.802 ' N ' HD13 ' A' ' 439' ' ' ILE . 1.0 OUTLIER -94.92 120.68 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.611 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.999 ' CD1' HG11 ' A' ' 469' ' ' VAL . 5.3 p90 -122.78 152.66 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.537 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.2 ttt180 -155.84 123.71 2.84 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 134.6 18.08 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.33 102.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 109.46 1.73 31.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -106.43 -146.34 13.54 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.78 155.07 49.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 109.99 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.707 ' HB3' ' HE1' ' A' ' 440' ' ' HIS . 38.7 m95 -70.24 156.31 39.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 107.994 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 449' ' ' THR . . . . . 0.778 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 2.5 p -76.58 -173.5 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.544 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -89.33 94.27 9.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.423 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -52.61 126.81 40.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.634 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.2 Cg_endo -75.01 144.06 79.76 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.018 -0.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.634 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -43.76 -113.21 0.0 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 439' ' ' ILE . 9.7 p -130.57 143.4 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 436' ' ' SER . 0.0 OUTLIER -71.75 110.41 6.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 456' ' ' MET . . . . . 0.954 ' HA ' HD13 ' A' ' 467' ' ' ILE . 22.9 mtm -44.78 118.73 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 457' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 466' ' ' LYS . 1.9 mt-30 -49.23 175.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.87 133.99 34.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.841 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -112.7 105.31 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.51 ' O ' ' C ' ' A' ' 461' ' ' ILE . 12.9 pt-20 -59.76 -14.74 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.56 ' O ' ' CB ' ' A' ' 462' ' ' SER . 3.8 mm -30.61 -47.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 154.46 44.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.51 46.48 2.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.82 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.3 m-85 -125.95 -179.75 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.861 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.68 144.79 50.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.841 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 50.4 mtpt -124.08 146.31 48.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 0.954 HD13 ' HA ' ' A' ' 456' ' ' MET . 2.7 tp -150.88 133.32 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 468' ' ' THR . . . . . 0.611 HG23 ' OG1' ' A' ' 427' ' ' THR . 1.4 m -125.42 124.62 41.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.999 HG11 ' CD1' ' A' ' 441' ' ' TYR . 4.0 t -131.2 135.64 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 425' ' ' LYS . 4.2 t70 -85.03 147.1 26.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.867 HD11 ' CG2' ' A' ' 500' ' ' THR . 27.8 pt -123.71 -1.16 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.646 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -12.96 111.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.646 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 3.4 t 99.3 -10.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 0.708 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -119.62 140.06 51.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 475' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 476' ' ' GLN . 0.1 OUTLIER -89.61 -12.5 39.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 476' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 475' ' ' SER . 26.2 mt-30 -150.43 161.87 41.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -141.31 136.57 31.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.573 ' O ' ' CH2' ' A' ' 448' ' ' TRP . 1.0 OUTLIER -102.17 127.5 49.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.793 ' HB1' HD11 ' A' ' 439' ' ' ILE . . . -142.16 164.84 29.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 480' ' ' ALA . . . . . 0.489 ' CB ' ' HB3' ' A' ' 490' ' ' SER . . . -139.16 165.68 26.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.602 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.6 t80 -109.72 143.7 39.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.583 ' HB3' ' CE3' ' A' ' 488' ' ' TRP . 2.8 p30 -162.95 136.46 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.557 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 25.5 p-10 -68.03 -15.72 63.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.575 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 94.08 -15.58 62.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.76 -84.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -153.13 16.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 487' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -118.12 119.34 34.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 488' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 482' ' ' ASN . 30.1 m95 -121.57 168.05 12.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.88 101.15 1.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.688 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -134.15 119.94 19.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.566 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 0.2 OUTLIER 31.03 41.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.566 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 3.8 t-20 87.25 -43.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.688 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.7 t 177.09 45.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.443 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.439 ' O ' ' ND2' ' A' ' 495' ' ' ASN . 17.6 mttm -146.67 -73.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 0.555 ' HB3' ' CG ' ' A' ' 478' ' ' GLU . 0.9 OUTLIER 160.72 144.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 0.888 ' CE1' HD11 ' A' ' 516' ' ' ILE . 54.7 m-85 -93.21 157.21 16.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 497' ' ' SER . . . . . 0.473 ' CB ' ' OE2' ' A' ' 478' ' ' GLU . 0.0 OUTLIER -130.14 133.94 46.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 498' ' ' PHE . . . . . 0.463 ' HE1' ' HB3' ' A' ' 479' ' ' ALA . 0.4 OUTLIER -132.99 138.24 46.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.527 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -96.24 151.82 19.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.867 ' CG2' HD11 ' A' ' 471' ' ' ILE . 32.6 p -27.65 138.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 124.89 -145.63 15.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.773 HG23 ' HB ' ' A' ' 427' ' ' THR . 7.6 m -129.68 139.43 51.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 110.373 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.77 148.39 50.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 516' ' ' ILE . 4.2 m -114.72 138.3 50.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -121.38 123.26 41.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.812 HG23 ' HD2' ' A' ' 507' ' ' PRO . 1.8 m -127.08 147.67 62.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 507' ' ' PRO . . . . . 0.812 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.5 Cg_endo -74.97 144.62 30.56 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.549 1.815 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -90.37 -123.21 2.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 509' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 0.6 OUTLIER 157.45 80.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.26 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.52 -81.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -57.28 -22.0 42.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.456 1.098 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 512' ' ' ASN . . . . . 0.458 ' CB ' ' HA3' ' A' ' 508' ' ' GLY . 4.0 m120 -117.86 160.62 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -149.19 91.9 1.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 47.98 98.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.09 137.93 32.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 0.888 HD11 ' CE1' ' A' ' 496' ' ' TYR . 1.0 OUTLIER -123.37 138.08 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.48 161.95 26.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.414 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 17.6 p -105.74 91.81 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 133.03 132.99 3.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.133 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.18 156.61 27.01 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.773 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.51 35.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -117.27 58.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -61.21 -169.42 0.62 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 23.7 p -118.06 146.41 44.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.441 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -82.71 -102.51 0.47 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.534 ' CG ' HG21 ' A' ' 500' ' ' THR . 3.5 m-80 -97.81 158.66 15.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -129.97 148.98 51.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.487 ' CG2' HD13 ' A' ' 471' ' ' ILE . 5.8 t -134.43 119.96 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 427' ' ' THR . . . . . 0.931 ' HB ' HG23 ' A' ' 502' ' ' THR . 0.2 OUTLIER -106.47 137.09 45.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 428' ' ' ILE . . . . . 0.498 ' HB ' ' CG2' ' A' ' 467' ' ' ILE . 2.8 mt -129.56 125.73 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.627 ' CE2' ' HD2' ' A' ' 466' ' ' LYS . 5.6 m-85 -114.64 109.41 18.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.619 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 10.9 t80 -107.67 138.35 44.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 140.68 58.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.5 ttmm -73.97 110.6 8.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -117.2 -15.12 6.72 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 483' ' ' ASP . 0.2 OUTLIER -120.44 -67.12 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.973 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.8 p30 151.79 -33.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.497 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 60.7 p -157.24 59.93 1.91 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.01 160.6 39.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.809 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 20.4 m-85 -107.25 146.42 31.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 480' ' ' ALA . 1.5 tp -130.0 119.21 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 480' ' ' ALA . 1.9 t-160 -92.21 116.83 29.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.553 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.942 ' CG ' HG21 ' A' ' 469' ' ' VAL . 11.7 p90 -121.94 139.26 53.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.734 ' C ' HD12 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -138.16 123.56 12.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 133.27 16.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -55.32 100.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 111.54 2.01 27.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -115.2 -157.76 11.6 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 3.7 m -110.87 168.45 9.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.028 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.562 ' CD2' ' HB2' ' A' ' 442' ' ' ARG . 52.3 m95 -89.91 154.2 20.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 108.031 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 449' ' ' THR . . . . . 0.472 ' O ' ' NE2' ' A' ' 440' ' ' HIS . 0.6 OUTLIER -68.27 -176.96 0.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.32 104.94 16.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.641 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -56.82 139.06 77.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.635 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.2 Cg_endo -74.98 120.74 6.85 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 120.994 -2.502 . . . . 0.0 111.003 -0.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.641 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 13.94 -127.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.878 ' CG1' HD11 ' A' ' 467' ' ' ILE . 0.3 OUTLIER -133.62 141.5 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -60.32 115.41 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' MET . . . . . 0.889 ' HA ' HD13 ' A' ' 467' ' ' ILE . 5.9 mtt -66.51 121.67 15.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 457' ' ' GLN . . . . . 0.453 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 13.3 mm100 -53.63 175.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.06 132.12 41.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.725 ' HB3' ' CB ' ' A' ' 464' ' ' TYR . . . -105.11 106.82 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 461' ' ' ILE . 15.9 pt-20 -56.08 -16.71 5.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.654 HD12 ' HB1' ' A' ' 459' ' ' ALA . 1.4 mt -32.32 -45.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 157.24 56.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 78.56 52.33 5.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.725 ' CB ' ' HB3' ' A' ' 459' ' ' ALA . 1.6 m-85 -122.64 -172.97 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.884 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -128.48 142.75 50.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.627 ' HD2' ' CE2' ' A' ' 429' ' ' TYR . 0.6 OUTLIER -125.01 143.9 50.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.335 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 0.889 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.4 tp -153.4 128.1 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 468' ' ' THR . . . . . 0.52 HG23 HG23 ' A' ' 427' ' ' THR . 2.6 m -119.84 119.12 32.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.942 HG21 ' CG ' ' A' ' 441' ' ' TYR . 71.5 t -124.25 128.68 73.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -85.91 146.49 26.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 1.075 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 12.4 pt -118.23 -9.69 11.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 63.32 -89.03 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.56 -19.69 13.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.006 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 1.075 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -49.1 121.02 4.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.34 -13.51 61.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -154.92 162.93 40.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.734 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.1 OUTLIER -143.53 144.65 32.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 1.4 mt-10 -96.16 148.42 22.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 1.051 ' HB3' ' CE1' ' A' ' 498' ' ' PHE . . . -136.43 156.89 47.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 480' ' ' ALA . . . . . 0.583 ' O ' HD12 ' A' ' 439' ' ' ILE . . . -146.78 153.58 40.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.619 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 8.6 t80 -111.97 147.97 34.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.638 ' ND2' ' CE3' ' A' ' 488' ' ' TRP . 0.1 OUTLIER -155.4 153.04 29.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 0.0 109.261 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 434' ' ' PHE . 0.4 OUTLIER -133.97 58.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 136.36 -72.08 0.47 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 485' ' ' ASN . . . . . 0.502 ' O ' ' NE1' ' A' ' 488' ' ' TRP . 20.3 t30 178.82 -66.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -65.74 -17.73 64.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 487' ' ' ASN . . . . . 0.422 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 0.3 OUTLIER -92.9 96.63 10.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 488' ' ' TRP . . . . . 0.638 ' CE3' ' ND2' ' A' ' 482' ' ' ASN . 80.0 m95 -103.68 164.72 11.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 489' ' ' ASP . . . . . 0.406 ' CB ' ' HB3' ' A' ' 481' ' ' PHE . 2.0 m-20 -162.74 76.55 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.626 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -129.26 121.35 27.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.985 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.564 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 0.1 OUTLIER 36.11 37.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.564 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 13.4 t30 87.87 -41.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.626 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.4 t 173.91 46.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.512 ' O ' ' HB3' ' A' ' 495' ' ' ASN . 15.2 mttm -146.91 -72.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 0.512 ' HB3' ' O ' ' A' ' 494' ' ' LYS . 10.6 p-10 158.58 140.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 0.587 ' CD1' HD11 ' A' ' 516' ' ' ILE . 4.7 m-85 -90.7 162.52 14.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 497' ' ' SER . . . . . 0.403 ' C ' ' CD1' ' A' ' 498' ' ' PHE . 10.0 t -126.92 139.51 53.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.978 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 498' ' ' PHE . . . . . 1.051 ' CE1' ' HB3' ' A' ' 479' ' ' ALA . 5.7 m-85 -137.72 156.74 47.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.505 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -115.92 152.18 33.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.99 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.99 HG22 HD11 ' A' ' 471' ' ' ILE . 23.0 p -30.38 143.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 118.4 -148.44 18.48 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.959 HG21 ' HB2' ' A' ' 520' ' ' ALA . 35.4 m -125.43 139.81 53.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 0.777 . . . . 0.0 110.388 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.6 p -133.53 146.27 50.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.447 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 1.4 m -107.8 139.73 41.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.391 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 505' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 481' ' ' PHE . 27.6 t80 -123.14 127.88 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.682 HG23 ' HD2' ' A' ' 507' ' ' PRO . 3.7 m -136.61 145.72 52.49 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.368 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 507' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo -75.02 146.27 32.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -108.72 -142.0 9.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 509' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 1.0 OUTLIER 155.8 150.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.784 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.04 -87.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -103.17 -20.07 11.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 512' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -95.39 159.29 15.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -168.55 102.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 58.64 86.05 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.12 137.86 32.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 110.439 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 0.587 HD11 ' CD1' ' A' ' 496' ' ' TYR . 5.8 mt -123.97 139.05 51.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 517' ' ' THR . . . . . 0.447 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.6 OUTLIER -127.7 162.61 26.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 3.2 m -105.93 93.16 4.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 138.34 129.89 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.959 ' HB2' HG21 ' A' ' 502' ' ' THR . . . -60.22 156.73 37.66 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 521' ' ' PRO . . . . . 0.491 ' HD2' ' CD2' ' A' ' 429' ' ' TYR . 18.3 Cg_endo -75.05 147.32 33.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -121.83 51.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.099 . . . . 0.0 111.049 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 152.13 -152.1 23.88 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 8.7 t -75.46 175.45 8.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 110.365 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -156.94 97.87 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.577 ' HB3' HG22 ' A' ' 500' ' ' THR . 25.5 m120 -82.14 155.43 25.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.577 ' HE2' HG22 ' A' ' 468' ' ' THR . 0.0 OUTLIER -128.75 145.5 51.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 500' ' ' THR . 12.9 t -127.77 127.73 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 427' ' ' THR . . . . . 0.886 ' HB ' HG23 ' A' ' 502' ' ' THR . 38.0 m -114.74 134.42 55.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.415 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -133.0 123.09 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.718 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 18.2 m-30 -115.15 112.38 22.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.567 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 10.9 t80 -106.53 139.67 40.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.577 ' HD2' ' CE1' ' A' ' 464' ' ' TYR . 2.2 tttm -64.08 140.56 58.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 5.3 ttmt -73.84 109.76 7.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -125.63 13.22 7.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.6 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 7.5 m-85 -147.17 -61.57 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 6.3 p30 148.39 -55.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.495 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 5.8 m -138.67 60.21 18.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.02 147.89 34.46 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.577 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 48.8 m-85 -98.79 154.02 18.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.855 HD11 ' HB1' ' A' ' 479' ' ' ALA . 0.0 OUTLIER -132.02 120.39 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.768 ' N ' HD13 ' A' ' 439' ' ' ILE . 6.7 t-160 -91.27 117.32 29.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 0.858 ' CD1' HG11 ' A' ' 469' ' ' VAL . 12.1 p90 -126.17 152.92 45.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.748 ' C ' HD12 ' A' ' 477' ' ' LEU . 2.4 ttt180 -153.82 124.76 3.53 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 134.09 17.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.802 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' ALA . . . . . 0.588 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -53.33 102.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 105.92 5.42 38.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -109.2 -149.22 13.12 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.81 160.43 29.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.54 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 55.6 m95 -74.55 157.49 35.39 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 449' ' ' THR . . . . . 0.639 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -79.17 -172.9 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.418 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -83.81 95.29 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.663 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -56.09 138.25 73.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.609 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.99 119.04 5.69 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.025 0.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.663 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.62 -131.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 5.3 p -131.35 134.35 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -58.1 106.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' MET . . . . . 0.933 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 17.4 mtt -49.77 126.28 13.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -54.82 173.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.57 131.75 34.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.813 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -109.36 103.41 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 461' ' ' ILE . 14.9 pt-20 -58.41 -15.54 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.568 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -29.33 -47.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.9 OUTLIER 153.95 44.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.96 48.07 2.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.813 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.7 m-85 -128.64 179.27 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.933 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.17 145.78 49.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.803 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 50.9 mtpt -126.15 145.88 50.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 0.929 HD13 ' HA ' ' A' ' 456' ' ' MET . 2.4 tp -151.46 129.48 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 468' ' ' THR . . . . . 0.577 HG22 ' HE2' ' A' ' 425' ' ' LYS . 2.4 m -122.4 124.17 43.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.858 HG11 ' CD1' ' A' ' 441' ' ' TYR . 27.0 t -128.3 132.98 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 470' ' ' ASP . . . . . 0.408 ' CA ' ' HE3' ' A' ' 425' ' ' LYS . 8.2 t70 -84.23 145.51 28.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.845 HD11 ' CG2' ' A' ' 500' ' ' THR . 13.7 pt -131.15 28.13 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.644 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -52.0 78.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.5 m 147.38 -12.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 0.588 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -123.04 138.29 54.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.82 -6.81 59.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -153.54 162.23 41.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.748 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.8 OUTLIER -137.75 128.4 26.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.567 ' OE2' ' N ' ' A' ' 479' ' ' ALA . 4.5 tp10 -102.32 129.3 48.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.855 ' HB1' HD11 ' A' ' 439' ' ' ILE . . . -147.65 164.18 34.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 480' ' ' ALA . . . . . 0.485 ' CB ' ' HB3' ' A' ' 490' ' ' SER . . . -137.43 169.65 17.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.567 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.5 t80 -109.0 143.25 38.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.471 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 2.7 p30 -162.04 136.28 6.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 434' ' ' PHE . 28.8 p-10 -68.27 -12.23 60.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.577 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 86.51 -14.78 54.16 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -83.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.81 16.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 487' ' ' ASN . . . . . 0.408 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 48.6 m-80 -119.8 117.59 28.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 488' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -114.19 165.71 12.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.044 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 489' ' ' ASP . . . . . 0.482 ' HB2' ' CD2' ' A' ' 481' ' ' PHE . 0.3 OUTLIER -155.87 97.95 1.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.693 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -134.28 118.81 17.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.553 ' HA ' ' CE1' ' A' ' 496' ' ' TYR . 0.1 OUTLIER 32.13 38.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 29.8 t30 85.93 -40.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.693 ' N ' ' O ' ' A' ' 490' ' ' SER . 2.4 t 178.33 43.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.63 ' O ' ' HB3' ' A' ' 495' ' ' ASN . 31.5 mttt -145.06 -79.93 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 0.63 ' HB3' ' O ' ' A' ' 494' ' ' LYS . 47.3 p-10 164.06 155.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 0.812 ' CE1' HD11 ' A' ' 516' ' ' ILE . 33.0 m-85 -107.66 145.39 33.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 3.9 t -118.72 145.39 45.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -142.48 139.22 31.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -96.42 151.34 19.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.992 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.845 ' CG2' HD11 ' A' ' 471' ' ' ILE . 34.5 p -26.83 138.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.25 -147.74 16.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.886 HG23 ' HB ' ' A' ' 427' ' ' THR . 6.7 m -130.43 137.94 50.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.386 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.8 p -134.15 148.03 50.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 516' ' ' ILE . 3.3 m -110.09 139.12 45.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -122.1 127.08 49.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.78 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.4 m -133.11 147.34 64.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.415 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 507' ' ' PRO . . . . . 0.78 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo -75.01 145.42 31.39 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 508' ' ' GLY . . . . . 0.608 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -104.54 -105.63 3.03 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 509' ' ' ASN . . . . . 0.608 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 3.2 t-20 91.31 138.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 510' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 509' ' ' ASN . 0.3 OUTLIER 89.52 -75.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.047 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -119.72 -23.63 3.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 512' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 509' ' ' ASN . 0.2 OUTLIER -108.45 164.04 12.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -156.46 95.01 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 65.26 90.26 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.79 139.21 31.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 110.415 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 0.812 HD11 ' CE1' ' A' ' 496' ' ' TYR . 2.3 mt -123.67 138.87 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.39 162.29 27.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 2.7 m -106.28 92.81 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 127.75 133.35 3.73 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.434 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.06 156.35 27.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 148.61 35.32 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.432 1.754 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -113.41 57.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -101.73 -38.95 3.06 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 3.4 m -76.62 152.88 35.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.397 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 423' ' ' GLY . . . . . 0.451 ' HA2' ' CA ' ' A' ' 472' ' ' GLY . . . -148.73 67.01 0.38 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 424' ' ' ASN . . . . . 0.596 ' HB3' HG22 ' A' ' 500' ' ' THR . 35.4 m120 -66.6 158.92 28.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.425 ' HD2' HG22 ' A' ' 468' ' ' THR . 2.4 tppt? -129.22 144.31 51.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.529 ' CG2' HD13 ' A' ' 471' ' ' ILE . 9.2 t -126.18 125.67 68.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 427' ' ' THR . . . . . 0.926 ' HB ' HG23 ' A' ' 502' ' ' THR . 60.3 m -113.76 136.76 52.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 428' ' ' ILE . . . . . 0.541 HG21 HD11 ' A' ' 439' ' ' ILE . 1.2 mp -132.77 122.78 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 429' ' ' TYR . . . . . 0.737 ' CE1' HG22 ' A' ' 427' ' ' THR . 16.4 m-30 -114.1 110.82 20.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 430' ' ' TYR . . . . . 0.5 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.0 t80 -106.65 139.76 40.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.51 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.3 OUTLIER -64.47 142.05 58.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 432' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 4.2 ttmt -77.79 108.09 10.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -122.47 8.17 9.58 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' PHE . . . . . 0.596 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 13.9 m-85 -140.13 -61.92 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.783 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' ASN . . . . . 0.596 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 10.5 m-20 148.39 -60.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.358 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' SER . . . . . 0.458 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 86.0 p -132.82 61.85 58.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.97 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.05 156.78 42.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.549 1.815 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.446 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 19.9 m-85 -105.42 150.6 25.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.993 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.716 HD13 HG21 ' A' ' 467' ' ' ILE . 2.2 tt -133.27 123.09 46.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' HIS . . . . . 0.64 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 0.7 OUTLIER -95.39 126.68 40.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.602 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 441' ' ' TYR . . . . . 1.004 ' CD1' HG11 ' A' ' 469' ' ' VAL . 9.5 p90 -127.22 152.06 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.505 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 0.3 OUTLIER -156.37 125.11 2.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 443' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.4 Cg_endo -74.99 133.81 17.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.561 1.822 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -50.54 108.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 105.62 0.44 39.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.098 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -105.89 -137.83 8.98 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.3 154.8 40.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 109.984 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 448' ' ' TRP . . . . . 0.505 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 98.4 m95 -67.77 157.86 33.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 107.984 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 449' ' ' THR . . . . . 0.818 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 2.1 p -81.84 -177.21 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -74.1 96.27 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ALA . . . . . 0.64 ' HB2' ' HE1' ' A' ' 440' ' ' HIS . . . -54.1 126.03 51.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.607 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.02 135.71 41.8 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.982 -2.508 . . . . 0.0 110.994 0.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 453' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -34.93 -103.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.983 HG11 HD11 ' A' ' 467' ' ' ILE . 2.6 p -131.56 147.7 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.787 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -75.26 120.21 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' MET . . . . . 0.924 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.2 OUTLIER -51.5 121.28 6.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 457' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 466' ' ' LYS . 1.0 OUTLIER -55.2 174.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.74 135.65 33.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 459' ' ' ALA . . . . . 0.81 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -115.54 102.37 9.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.55 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.0 pt-20 -58.19 -15.39 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 461' ' ' ILE . . . . . 0.562 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.5 mm -28.77 -47.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 462' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.5 m 154.92 44.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 463' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.54 47.39 2.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.81 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 4.2 m-85 -128.19 178.88 5.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.924 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -123.11 147.15 47.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.806 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 51.4 mtpt -128.79 144.34 51.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 467' ' ' ILE . . . . . 0.983 HD11 HG11 ' A' ' 454' ' ' VAL . 0.1 OUTLIER -151.76 128.99 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 468' ' ' THR . . . . . 0.752 HG23 ' OG1' ' A' ' 427' ' ' THR . 2.5 m -125.03 128.19 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 1.004 HG11 ' CD1' ' A' ' 441' ' ' TYR . 2.2 t -133.33 135.59 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -84.57 146.12 27.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.933 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 14.8 pt -119.31 -9.3 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.667 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . -3.03 108.18 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 473' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 4.7 t 100.8 -11.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 474' ' ' ALA . . . . . 0.933 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -113.87 136.16 53.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.74 -10.54 53.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -154.7 161.24 41.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.859 ' C ' HD23 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -142.62 142.68 32.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 478' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 0.1 OUTLIER -99.04 132.63 44.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 479' ' ' ALA . . . . . 0.67 ' HB3' ' HE2' ' A' ' 498' ' ' PHE . . . -123.65 161.21 25.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 480' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -147.31 156.73 43.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 481' ' ' PHE . . . . . 0.5 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 9.3 t80 -110.34 149.08 30.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 482' ' ' ASN . . . . . 0.453 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.0 OUTLIER -157.63 157.84 34.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.5 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 0.6 OUTLIER -131.71 55.85 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 137.23 -70.74 0.48 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 485' ' ' ASN . . . . . 0.507 ' O ' ' NE1' ' A' ' 488' ' ' TRP . 20.0 t30 179.17 -68.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -61.71 -21.73 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 487' ' ' ASN . . . . . 0.489 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 0.2 OUTLIER -90.61 97.36 11.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 488' ' ' TRP . . . . . 0.507 ' NE1' ' O ' ' A' ' 485' ' ' ASN . 55.8 m95 -102.57 164.19 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 107.974 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 489' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 481' ' ' PHE . 1.3 m-20 -162.58 77.52 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 490' ' ' SER . . . . . 0.639 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -129.38 122.06 28.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.574 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 2.5 t-20 34.5 36.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 492' ' ' ASN . . . . . 0.574 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 10.6 t-20 87.63 -41.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.639 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.6 t 175.49 38.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.425 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 494' ' ' LYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 495' ' ' ASN . 2.8 mtpt -134.54 -74.41 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 495' ' ' ASN . . . . . 0.544 ' HB3' ' O ' ' A' ' 494' ' ' LYS . 12.2 p-10 154.18 147.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 496' ' ' TYR . . . . . 0.831 ' CE1' HD11 ' A' ' 516' ' ' ILE . 23.6 m-85 -95.33 155.6 16.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 497' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 0.0 OUTLIER -129.07 133.23 47.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.031 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 498' ' ' PHE . . . . . 0.94 ' CE1' HG21 ' A' ' 516' ' ' ILE . 10.5 m-85 -135.89 151.86 50.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 499' ' ' SER . . . . . 0.542 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.1 OUTLIER -104.92 150.91 24.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 500' ' ' THR . . . . . 0.829 HG22 HD11 ' A' ' 471' ' ' ILE . 39.8 p -26.87 138.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.6 -147.62 16.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.926 HG23 ' HB ' ' A' ' 427' ' ' THR . 5.3 m -127.9 138.78 52.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 110.429 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.32 148.38 52.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.99 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 504' ' ' THR . . . . . 0.427 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 2.8 m -110.92 138.43 47.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.386 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 505' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 28.8 t80 -120.75 126.96 51.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.72 HG23 ' HD2' ' A' ' 507' ' ' PRO . 3.7 m -133.47 146.41 60.51 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.418 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 507' ' ' PRO . . . . . 0.72 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo -75.02 145.27 31.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.543 1.812 . . . . 0.0 111.051 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -92.18 -130.44 5.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 509' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 164.62 83.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.26 -83.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -54.09 -25.05 30.49 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.547 1.155 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 512' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -116.81 162.15 18.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -150.11 92.06 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 50.81 98.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.02 138.29 31.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 516' ' ' ILE . . . . . 0.94 HG21 ' CE1' ' A' ' 498' ' ' PHE . 2.9 mt -124.06 138.8 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 517' ' ' THR . . . . . 0.427 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.3 OUTLIER -128.72 162.3 27.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 56.8 p -105.98 93.0 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.49 131.11 3.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 520' ' ' ALA . . . . . 0.51 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -58.89 155.99 28.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 151.05 38.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -106.26 53.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.571 1.169 . . . . 0.0 110.992 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.514 ' CG ' HG21 ' A' ' 500' ' ' THR . 5.4 m-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.42 147.38 51.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.866 HG22 ' HA ' ' A' ' 500' ' ' THR . 27.8 t -131.47 122.57 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 0.918 ' HB ' HG23 ' A' ' 502' ' ' THR . 32.2 m -108.86 135.42 50.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.372 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . 0.473 HG22 ' CE ' ' A' ' 456' ' ' MET . 1.5 mt -131.93 123.46 51.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.708 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.3 m-30 -113.58 111.75 22.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.602 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 3.2 t80 -106.21 138.98 41.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -64.74 140.26 58.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 1.6 ttmm -77.83 104.22 8.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -114.96 -3.96 21.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.571 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 0.8 OUTLIER -128.95 -63.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 111.015 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.8 p30 150.57 -48.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.464 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 11.1 p -140.47 61.39 16.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.2 Cg_endo -74.98 148.3 35.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.58 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 11.7 m-30 -100.55 151.01 22.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.579 HG21 ' HG2' ' A' ' 456' ' ' MET . 0.0 OUTLIER -131.49 119.28 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.812 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 1.6 t-160 -96.42 119.69 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.583 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.865 ' CD1' HG11 ' A' ' 469' ' ' VAL . 7.6 p90 -123.78 150.99 43.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.651 ' C ' HD12 ' A' ' 477' ' ' LEU . 2.7 ttt180 -147.1 122.9 5.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.1 Cg_endo -75.0 132.81 15.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . 0.505 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -51.76 105.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 102.52 7.77 44.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -114.07 -154.88 11.24 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.06 157.21 30.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.523 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 43.5 m95 -70.04 160.5 31.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.035 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . 0.427 ' N ' ' HE2' ' A' ' 440' ' ' HIS . 0.2 OUTLIER -78.05 -179.92 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.373 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -74.04 94.16 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.812 ' HB2' ' HE1' ' A' ' 440' ' ' HIS . . . -55.46 139.5 67.0 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.0 119.98 6.34 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.018 0.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.655 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 18.33 -135.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.59 HG11 ' HE2' ' A' ' 441' ' ' TYR . 9.9 p -133.62 141.56 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.48 121.2 12.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 0.981 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -67.91 128.64 37.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.3 174.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.25 135.8 33.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.846 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -112.81 103.48 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.541 ' O ' ' C ' ' A' ' 461' ' ' ILE . 26.3 pt-20 -58.66 -15.51 12.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.549 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -29.12 -48.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.2 m 155.65 45.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.74 46.27 2.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.138 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.838 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.8 m-85 -127.42 -178.36 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.981 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -125.43 150.61 47.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.846 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 48.7 mtpt -128.98 148.3 50.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 0.906 HD13 ' HA ' ' A' ' 456' ' ' MET . 5.0 tp -150.27 132.15 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . 0.508 HG23 ' OG1' ' A' ' 427' ' ' THR . 1.4 m -124.5 120.94 33.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.865 HG11 ' CD1' ' A' ' 441' ' ' TYR . 15.8 t -129.53 134.55 63.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -89.15 144.74 25.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.884 HD11 ' CG2' ' A' ' 500' ' ' THR . 10.4 pt -129.38 25.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.646 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -49.5 80.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.646 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.2 m 147.3 -14.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -122.17 136.82 54.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -8.33 58.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -154.6 161.95 41.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.651 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -141.95 142.65 33.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 20.6 mt-10 -97.69 148.87 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.664 ' HB3' ' HE2' ' A' ' 498' ' ' PHE . . . -134.67 158.58 43.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . 0.505 ' O ' HG12 ' A' ' 439' ' ' ILE . . . -146.36 146.74 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.602 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 4.1 t80 -108.38 142.09 39.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.431 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.5 OUTLIER -161.15 135.3 6.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.521 ' HB3' ' CE1' ' A' ' 434' ' ' PHE . 9.6 p-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 0.816 ' CD1' HD11 ' A' ' 516' ' ' ILE . 48.5 m-85 -82.42 158.74 23.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . 0.537 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 12.0 t -130.67 134.99 47.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . 1.042 ' CE1' HG21 ' A' ' 516' ' ' ILE . 13.9 m-85 -141.51 152.84 44.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.502 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -102.54 149.17 24.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.979 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.884 ' CG2' HD11 ' A' ' 471' ' ' ILE . 35.1 p -30.57 145.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.404 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 127.51 -144.05 14.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.918 HG23 ' HB ' ' A' ' 427' ' ' THR . 1.3 m -129.39 134.21 47.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 110.411 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 428' ' ' ILE . 0.1 OUTLIER -133.96 149.28 51.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.447 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 3.2 m -113.23 138.79 49.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 481' ' ' PHE . 34.3 t80 -118.57 123.06 44.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.776 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.2 m -127.82 146.82 60.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . 0.776 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.545 1.813 . . . . 0.0 110.989 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.66 139.23 31.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 110.399 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 1.042 HG21 ' CE1' ' A' ' 498' ' ' PHE . 3.9 mt -122.71 138.04 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . 0.447 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.2 OUTLIER -127.14 161.71 27.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 12.5 m -106.53 91.56 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 126.85 134.02 3.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.492 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -58.53 156.0 25.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . 0.4 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.124 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.522 ' HB3' HG22 ' A' ' 500' ' ' THR . 8.1 m-80 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -129.03 154.06 47.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.256 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.482 HG21 HD13 ' A' ' 471' ' ' ILE . 13.4 t -132.87 124.14 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 0.912 ' HB ' HG23 ' A' ' 502' ' ' THR . 41.0 m -107.77 136.2 47.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . 0.603 HG21 HD11 ' A' ' 439' ' ' ILE . 1.4 mt -132.69 121.79 45.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.719 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 17.2 m-30 -115.25 110.44 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 111.057 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.601 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 19.2 t80 -105.81 138.77 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.598 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.4 OUTLIER -64.53 140.73 58.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.8 ttmm -74.6 110.11 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -126.4 12.56 7.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.644 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 10.6 m-85 -147.18 -57.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 111.047 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.644 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.3 t-20 143.81 -58.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.496 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -133.77 60.09 43.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.496 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.2 Cg_endo -74.99 151.23 39.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.457 ' O ' ' ND2' ' A' ' 482' ' ' ASN . 21.7 m-85 -102.29 152.81 20.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.603 HD11 HG21 ' A' ' 428' ' ' ILE . 4.7 tt -132.09 120.21 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.559 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 1.5 t60 -92.44 118.48 31.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.591 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.784 ' CD2' HG21 ' A' ' 469' ' ' VAL . 6.0 p90 -128.22 152.67 47.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.523 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.9 ttt180 -151.77 124.04 3.97 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.4 Cg_endo -75.04 134.84 18.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . 0.662 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -53.29 104.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 101.07 9.68 44.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -111.95 -152.39 11.92 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.58 153.75 40.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.523 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 39.1 m95 -68.72 158.73 33.62 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . 0.642 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -80.05 -174.99 4.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -82.46 95.21 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.652 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.77 138.45 70.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.617 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.2 Cg_endo -75.03 119.66 6.12 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.011 -2.496 . . . . 0.0 110.964 0.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.652 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.94 -131.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.401 HG13 HD11 ' A' ' 467' ' ' ILE . 3.2 p -132.62 141.25 45.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.08 113.83 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 0.83 ' HA ' HD13 ' A' ' 467' ' ' ILE . 0.0 OUTLIER -56.15 120.8 8.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 466' ' ' LYS . 1.2 mt-30 -50.8 175.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.37 133.47 34.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.85 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -114.35 103.08 10.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 461' ' ' ILE . 26.3 pt-20 -59.33 -14.91 13.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.553 ' O ' ' CB ' ' A' ' 462' ' ' SER . 3.7 mm -29.46 -47.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.3 m 154.79 43.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.14 47.99 2.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.85 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 4.3 m-85 -129.27 178.39 6.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.828 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -123.18 145.02 48.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.793 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 48.8 mtpt -124.54 146.37 49.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 0.83 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.8 tp -151.2 129.68 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.3 m -118.42 121.51 40.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.784 HG21 ' CD2' ' A' ' 441' ' ' TYR . 82.7 t -124.65 130.34 73.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.02 144.9 28.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.912 HD11 ' CG2' ' A' ' 500' ' ' THR . 17.3 pt -129.59 26.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.63 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -49.64 80.84 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.63 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.3 m 148.31 -17.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 0.662 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -127.86 141.57 51.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 4.8 m -90.16 3.82 52.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -155.81 149.44 25.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.532 HD11 ' HB2' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -135.27 135.32 40.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 1.9 tt0 -106.29 128.68 54.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -147.25 162.99 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -136.52 168.71 18.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.601 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.4 t80 -108.98 144.53 36.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.509 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 1.8 p30 -161.72 136.58 7.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 434' ' ' PHE . 27.1 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 495' ' ' ASN . 3.7 p30 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 0.827 ' CE1' HD11 ' A' ' 516' ' ' ILE . 63.6 m-85 -97.78 158.3 15.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.2 t -125.81 139.15 53.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.985 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . 0.568 ' HE1' ' HB3' ' A' ' 479' ' ' ALA . 0.3 OUTLIER -138.28 136.29 36.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.547 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -92.57 148.95 21.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.912 ' CG2' HD11 ' A' ' 471' ' ' ILE . 22.6 p -26.35 137.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 128.34 -145.69 16.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.912 HG23 ' HB ' ' A' ' 427' ' ' THR . 7.4 m -129.09 137.9 51.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.426 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 3.6 p -133.26 148.91 51.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.436 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 14.0 m -112.4 138.06 49.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.382 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . 0.437 ' HH ' ' HE2' ' A' ' 496' ' ' TYR . 2.8 t80 -119.46 122.95 42.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.808 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.0 m -130.12 147.71 66.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . 0.808 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.73 139.55 37.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 0.827 HD11 ' CE1' ' A' ' 496' ' ' TYR . 1.0 OUTLIER -122.77 138.43 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . 0.436 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.5 OUTLIER -128.14 161.99 27.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 23.7 m -104.67 93.08 4.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 127.66 131.14 3.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.412 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.68 156.09 35.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . 0.406 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.716 ' OD1' HG21 ' A' ' 500' ' ' THR . 3.5 m-80 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.13 138.57 49.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.634 HG11 HD23 ' A' ' 477' ' ' LEU . 6.3 t -127.89 117.98 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 0.888 ' HB ' HG23 ' A' ' 502' ' ' THR . 45.4 m -105.96 136.6 45.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . 0.452 HG21 HD11 ' A' ' 439' ' ' ILE . 1.2 mp -133.72 121.79 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.694 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.3 m-30 -113.55 110.03 19.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.628 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.1 t80 -107.89 140.13 41.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.587 ' CG ' ' CZ ' ' A' ' 464' ' ' TYR . 3.0 mttp -63.38 139.63 58.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 1.9 ttmt -76.5 107.67 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -117.34 4.2 18.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.537 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 3.5 m-85 -138.72 -66.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.6 p-10 153.2 -48.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.522 ' N ' ' ND2' ' A' ' 435' ' ' ASN . 37.5 p -142.14 60.0 10.0 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.498 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.98 148.59 35.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 452' ' ' PRO . 88.6 m-85 -94.63 156.36 16.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.529 HG21 HG21 ' A' ' 467' ' ' ILE . 1.9 tt -135.03 121.79 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.649 ' CE1' ' HB2' ' A' ' 451' ' ' ALA . 2.3 t-160 -99.77 119.35 38.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.56 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.974 ' CE1' HG11 ' A' ' 469' ' ' VAL . 15.9 p90 -130.78 153.96 48.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.682 ' C ' HD12 ' A' ' 477' ' ' LEU . 1.3 ttt180 -146.58 125.33 6.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.96 14.87 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . 0.573 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -52.76 103.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.29 -0.51 29.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -108.81 -148.63 13.16 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.66 161.42 30.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.583 ' CZ3' ' HB3' ' A' ' 442' ' ' ARG . 57.2 m95 -71.68 157.22 38.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 107.981 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . 0.595 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 1.6 p -84.12 157.32 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -59.11 95.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.649 ' HB2' ' CE1' ' A' ' 440' ' ' HIS . . . -56.34 128.08 72.6 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.645 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -75.01 138.89 58.69 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.992 -2.504 . . . . 0.0 110.952 0.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.645 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -37.25 -107.51 0.0 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 1.008 HG11 HD11 ' A' ' 467' ' ' ILE . 2.1 p -131.79 151.77 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -78.74 121.03 24.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 0.871 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -54.48 119.41 5.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 466' ' ' LYS . 44.7 mm-40 -50.18 173.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.34 131.89 34.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.841 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -111.91 102.49 10.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 461' ' ' ILE . 12.4 pt-20 -57.07 -16.59 7.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.557 ' C ' ' O ' ' A' ' 460' ' ' GLU . 5.9 mm -28.08 -48.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.9 m 156.57 47.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 93.12 39.87 5.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.798 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 2.7 m-30 -117.8 174.0 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.871 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -120.63 144.5 48.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.841 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 54.3 mtpt -129.03 141.3 51.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 1.008 HD11 HG11 ' A' ' 454' ' ' VAL . 0.2 OUTLIER -151.2 130.1 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . 0.648 HG23 ' OG1' ' A' ' 427' ' ' THR . 4.4 m -122.65 128.64 50.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.974 HG11 ' CE1' ' A' ' 441' ' ' TYR . 10.7 t -131.8 134.91 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.8 145.52 29.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.883 HD11 ' CG2' ' A' ' 500' ' ' THR . 37.8 pt -130.38 21.88 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.656 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -48.53 84.36 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.9 m 146.25 -13.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 0.573 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -127.56 136.68 52.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -7.2 56.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.965 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . 0.437 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 1.0 OUTLIER -153.27 161.9 41.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.682 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -145.32 142.98 29.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.535 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 2.8 mt-10 -98.18 148.32 23.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.748 ' HB3' ' HE2' ' A' ' 498' ' ' PHE . . . -139.36 156.32 47.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -145.93 152.61 39.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.628 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.6 t80 -110.42 140.1 44.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.461 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.7 OUTLIER -162.55 135.87 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.488 ' OD2' ' CZ ' ' A' ' 434' ' ' PHE . 31.4 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . 0.525 ' N ' HD22 ' A' ' 495' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 478' ' ' GLU . 34.0 m-85 -80.13 162.0 24.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 12.4 t -125.18 136.28 53.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.001 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . 1.173 ' CE1' HG21 ' A' ' 516' ' ' ILE . 15.8 m-85 -139.38 153.95 47.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -105.04 152.78 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.883 ' CG2' HD11 ' A' ' 471' ' ' ILE . 23.9 p -32.58 147.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 120.53 -144.87 17.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.888 HG23 ' HB ' ' A' ' 427' ' ' THR . 2.7 m -127.96 136.32 51.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.459 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 428' ' ' ILE . 0.1 OUTLIER -132.82 149.02 52.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.435 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 3.3 m -110.33 139.0 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -116.18 120.71 39.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.739 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.1 m -120.92 146.54 44.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . 0.739 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.212 0 O-C-N 124.466 1.772 . . . . 0.0 111.053 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.23 142.41 27.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 110.421 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 1.173 HG21 ' CE1' ' A' ' 498' ' ' PHE . 1.1 mt -123.55 137.78 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . 0.435 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.1 OUTLIER -126.26 162.25 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 60.6 p -106.29 93.02 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 128.55 132.8 3.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.529 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.14 153.71 44.64 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.501 ' HB3' HG22 ' A' ' 500' ' ' THR . 7.7 m-80 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.22 148.64 51.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 500' ' ' THR . 6.1 t -130.0 120.35 49.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 1.006 ' HB ' HG23 ' A' ' 502' ' ' THR . 34.2 m -107.64 135.23 49.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -132.72 121.14 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.72 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.4 m-30 -114.56 114.46 25.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.577 ' CE2' ' CE1' ' A' ' 481' ' ' PHE . 12.4 t80 -106.82 139.88 40.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 3.9 tttt -64.97 140.49 58.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 5.6 ttmt -74.94 103.02 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -120.09 9.68 11.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.6 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 12.2 m-85 -142.23 -61.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.728 . . . . 0.0 110.995 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 11.1 m-20 147.7 -60.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.444 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 68.8 m -132.43 62.13 61.25 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -74.99 151.84 40.05 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.793 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -105.56 144.38 32.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.622 HD11 ' HB1' ' A' ' 479' ' ' ALA . 0.3 OUTLIER -127.52 119.2 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.772 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 0.7 OUTLIER -91.92 119.55 31.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.827 ' CD1' HG11 ' A' ' 469' ' ' VAL . 5.2 p90 -122.19 151.08 41.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.537 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.8 ttt180 -154.81 123.97 3.11 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.3 Cg_endo -75.0 134.56 17.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . 0.623 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -52.16 99.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 107.9 7.86 30.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.571 1.17 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -110.29 -152.03 13.29 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.07 157.8 30.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.537 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 42.3 m95 -74.56 156.68 36.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 108.017 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . 0.458 HG21 ' CE2' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -77.52 -179.51 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -78.77 97.43 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.772 ' HB2' ' HE1' ' A' ' 440' ' ' HIS . . . -55.74 139.79 68.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.599 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.5 Cg_endo -74.96 120.15 6.44 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.984 -0.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.655 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.8 -132.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.757 HG11 HD11 ' A' ' 467' ' ' ILE . 1.4 p -133.38 131.04 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -54.56 110.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 0.938 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 7.2 mtt -54.68 127.65 29.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.58 173.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.44 134.29 34.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.845 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -112.33 109.49 19.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 461' ' ' ILE . 10.7 pt-20 -64.83 -18.69 65.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.569 ' O ' ' CB ' ' A' ' 462' ' ' SER . 1.0 OUTLIER -29.3 -45.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.8 OUTLIER 154.04 59.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 79.19 52.64 4.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.814 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 5.2 m-85 -131.69 -179.31 5.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 0.791 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.938 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.28 148.62 47.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.845 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 53.7 mtpt -129.1 145.79 51.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 0.757 HD11 HG11 ' A' ' 454' ' ' VAL . 0.3 OUTLIER -151.62 130.26 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . 0.526 HG23 ' OG1' ' A' ' 427' ' ' THR . 2.3 m -121.11 127.85 52.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.827 HG11 ' CD1' ' A' ' 441' ' ' TYR . 9.7 t -132.42 131.64 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -84.64 145.14 28.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.936 HD11 ' CG2' ' A' ' 500' ' ' THR . 11.3 pt -131.83 26.66 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.653 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -51.6 80.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.653 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.7 m 146.72 -12.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 0.623 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -124.05 139.69 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -6.98 59.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -153.77 162.13 41.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.438 HD11 ' HB2' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -140.84 142.74 34.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.495 ' CG ' ' HB3' ' A' ' 495' ' ' ASN . 11.8 tp10 -98.1 139.49 33.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.684 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -130.09 157.14 43.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . 0.533 ' O ' HD13 ' A' ' 439' ' ' ILE . . . -144.53 153.41 41.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.577 ' CE1' ' CE2' ' A' ' 430' ' ' TYR . 9.1 t80 -110.41 145.94 36.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 481' ' ' PHE . 0.7 OUTLIER -154.25 152.03 29.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.4 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . 0.495 ' HB3' ' CG ' ' A' ' 478' ' ' GLU . 2.0 m-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 1.029 ' CD1' HD11 ' A' ' 516' ' ' ILE . 61.3 m-85 -91.05 147.85 22.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.8 t -122.6 129.89 52.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . 0.82 ' CE1' HG21 ' A' ' 516' ' ' ILE . 10.1 m-85 -132.9 143.67 49.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.549 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -99.22 148.25 24.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.936 ' CG2' HD11 ' A' ' 471' ' ' ILE . 31.4 p -26.46 138.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 129.94 -146.93 17.8 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 1.006 HG23 ' HB ' ' A' ' 427' ' ' THR . 2.0 m -129.83 132.98 46.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.41 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 517' ' ' THR . 0.3 OUTLIER -130.64 149.48 52.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.048 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 516' ' ' ILE . 15.4 m -113.27 138.49 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 12.1 t80 -118.32 126.24 51.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.801 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.0 m -133.75 147.7 65.45 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.451 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . 0.801 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.129 0 O-C-N 124.553 1.818 . . . . 0.0 111.009 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.36 138.85 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 1.029 HD11 ' CD1' ' A' ' 496' ' ' TYR . 5.8 mt -122.54 138.67 51.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 503' ' ' SER . 0.0 OUTLIER -130.48 162.71 28.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 28.3 p -105.42 91.89 3.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 131.56 131.77 3.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.503 ' CB ' ' CD2' ' A' ' 429' ' ' TYR . . . -63.96 152.09 88.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.763 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . 0.405 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' A' ' 470' ' ' ASP . 9.9 m-80 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.32 137.25 49.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.65 HG21 HD13 ' A' ' 471' ' ' ILE . 14.0 t -129.51 114.06 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 0.995 ' HB ' HG23 ' A' ' 502' ' ' THR . 45.9 m -101.16 135.72 42.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . 0.412 HG13 ' OG ' ' A' ' 503' ' ' SER . 0.9 OUTLIER -131.49 122.3 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.711 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.1 m-30 -113.62 108.92 17.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.604 ' OH ' ' CE1' ' A' ' 481' ' ' PHE . 4.1 t80 -107.81 140.51 40.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.6 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 14.8 tttm -63.57 140.21 58.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 463' ' ' GLY . 0.0 OUTLIER -94.17 116.33 28.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -120.01 -5.36 10.78 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.555 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 0.7 OUTLIER -115.19 -64.8 1.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.0 p30 151.66 -48.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.49 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 60.2 p -137.88 60.35 23.61 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.49 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.05 150.37 37.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.442 ' N ' ' CD1' ' A' ' 438' ' ' TYR . 13.5 m-85 -104.57 150.74 24.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.507 HD13 HG21 ' A' ' 467' ' ' ILE . 1.9 tt -130.31 119.11 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.713 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 0.9 OUTLIER -94.71 117.25 29.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.572 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.871 ' CE1' HG11 ' A' ' 469' ' ' VAL . 3.4 p90 -135.34 152.79 51.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.775 ' C ' HD12 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -149.93 133.79 8.89 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.4 Cg_endo -75.02 133.48 16.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . 0.735 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -39.11 131.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 61.54 27.03 67.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -118.51 -136.22 5.4 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.24 147.95 32.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 110.006 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.629 ' CH2' ' ND2' ' A' ' 495' ' ' ASN . 88.1 m95 -75.27 160.32 30.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . 0.585 HG22 ' H ' ' A' ' 450' ' ' ALA . 2.7 m -74.55 -173.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.585 ' H ' HG22 ' A' ' 449' ' ' THR . . . -83.27 104.49 13.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.713 ' HB2' ' HE1' ' A' ' 440' ' ' HIS . . . -54.51 139.23 59.1 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.609 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -75.04 120.43 6.65 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.97 0.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.65 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.63 -130.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.663 HG11 ' HE2' ' A' ' 441' ' ' TYR . 7.1 p -132.11 137.83 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -58.02 108.62 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 0.984 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 29.3 mtm -55.57 137.54 48.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -64.87 172.07 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.45 131.76 34.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.843 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -111.97 102.25 10.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.0 pt-20 -57.34 -16.18 8.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.565 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -28.66 -46.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.4 m 153.71 44.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.432 ' O ' ' HB3' ' A' ' 432' ' ' LYS . . . 96.27 45.97 2.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.835 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.8 m-85 -126.13 177.75 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.984 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -120.73 151.01 40.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.843 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 51.3 mtpt -130.67 146.72 52.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 0.734 HD13 ' HA ' ' A' ' 456' ' ' MET . 1.5 tp -151.7 130.3 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . 0.464 HG23 ' OG1' ' A' ' 427' ' ' THR . 3.4 m -123.28 123.23 40.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.871 HG11 ' CE1' ' A' ' 441' ' ' TYR . 10.2 t -132.01 135.76 57.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . 0.448 ' HA ' ' O ' ' A' ' 424' ' ' ASN . 2.1 t70 -83.32 145.59 28.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.65 HD13 HG21 ' A' ' 426' ' ' VAL . 12.9 pt -139.82 28.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.42 ' CA ' ' N ' ' A' ' 424' ' ' ASN . . . -53.25 -16.06 4.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.452 1.095 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.71 2.48 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.003 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 0.735 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -141.58 128.23 20.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 2.6 t -69.24 -8.97 50.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 3.6 mt-30 -153.89 162.82 40.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.775 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.4 OUTLIER -142.49 141.89 32.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.52 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 12.3 mp0 -98.03 147.78 24.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.706 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -139.23 156.87 46.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . 0.771 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -145.17 150.61 37.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.604 ' CE1' ' OH ' ' A' ' 430' ' ' TYR . 1.5 t80 -109.92 137.87 47.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.472 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.3 OUTLIER -161.59 134.31 6.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . 0.771 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 3.5 m-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 1.064 ' CD1' HD11 ' A' ' 516' ' ' ILE . 71.0 m-85 -89.2 158.14 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . 0.483 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 6.8 t -131.06 139.01 49.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 110.027 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . 0.799 ' CE1' HG21 ' A' ' 516' ' ' ILE . 11.9 m-85 -138.7 147.62 42.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.527 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -102.87 152.13 21.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.942 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.646 ' CG2' HD11 ' A' ' 471' ' ' ILE . 26.9 p -27.62 140.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.28 -150.46 17.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.995 HG23 ' HB ' ' A' ' 427' ' ' THR . 4.1 m -128.75 133.38 48.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 110.387 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.412 ' OG ' HG13 ' A' ' 428' ' ' ILE . 78.0 p -134.57 149.11 50.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 4.8 m -116.08 138.08 51.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.354 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . 0.565 ' OH ' ' CE2' ' A' ' 496' ' ' TYR . 8.1 t80 -119.55 128.63 54.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.717 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.9 m -132.92 146.36 60.98 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . 0.717 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.58 139.06 30.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 1.064 HD11 ' CD1' ' A' ' 496' ' ' TYR . 4.2 mt -119.86 138.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.73 162.59 26.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 4.7 m -105.49 91.58 3.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.33 135.32 3.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.501 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.18 156.66 26.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . 0.434 ' HG2' HG21 ' A' ' 461' ' ' ILE . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.456 1.766 . . . . 0.0 110.99 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.522 ' HB3' HG22 ' A' ' 500' ' ' THR . 5.7 m120 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -130.15 147.54 51.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 3.4 t -129.28 120.72 51.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 0.701 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 51.9 m -106.86 136.26 47.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . 0.535 ' HB ' HG22 ' A' ' 467' ' ' ILE . 2.6 mt -132.54 121.62 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.701 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.9 m-30 -114.65 113.12 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.626 ' CE2' ' CE1' ' A' ' 481' ' ' PHE . 6.5 t80 -108.64 141.19 40.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.541 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -63.76 139.68 58.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 6.0 ttmt -74.82 109.94 8.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.19 18.79 6.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.6 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 12.1 m-85 -152.32 -61.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.747 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 0.5 OUTLIER 148.01 -60.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.477 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 61.0 p -133.28 61.05 52.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.04 147.8 34.27 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.414 ' HB2' ' ND2' ' A' ' 482' ' ' ASN . 21.8 m-85 -98.52 152.22 19.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.763 HD12 ' CE ' ' A' ' 456' ' ' MET . 4.6 tt -131.79 122.51 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.615 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 1.0 OUTLIER -92.72 118.49 31.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.606 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.764 ' CD1' HG11 ' A' ' 469' ' ' VAL . 4.6 p90 -127.25 151.65 48.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.525 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.9 ttt180 -153.35 126.36 4.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.3 Cg_endo -75.01 134.49 17.87 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.799 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.83 101.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 106.86 5.91 35.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -110.44 -151.35 12.85 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.08 162.2 21.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.557 ' HB3' ' CE1' ' A' ' 440' ' ' HIS . 50.3 m95 -77.42 155.73 31.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.05 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . 0.439 HG21 ' CE2' ' A' ' 441' ' ' TYR . 0.4 OUTLIER -76.31 -175.78 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.407 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -79.08 93.15 5.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.664 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.01 139.49 63.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.577 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.03 119.37 5.92 Favored 'Cis proline' 0 C--N 1.359 1.11 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.03 0.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.664 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 19.87 -136.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.742 HG11 HD11 ' A' ' 467' ' ' ILE . 1.0 OUTLIER -131.94 135.69 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -54.55 108.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 0.907 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 7.4 mtp -53.86 127.01 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 466' ' ' LYS . 24.4 mt-30 -54.48 173.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.3 136.56 33.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.919 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -112.09 112.92 24.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.515 ' O ' ' C ' ' A' ' 461' ' ' ILE . 10.4 pt-20 -69.39 -18.36 63.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.558 ' O ' ' CB ' ' A' ' 462' ' ' SER . 0.9 OUTLIER -30.71 -46.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.9 OUTLIER 154.27 58.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 80.39 54.02 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.905 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.5 m-85 -132.58 -176.8 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 0.793 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.907 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -126.0 151.23 47.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.919 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 46.5 mtpt -133.32 148.18 51.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 0.742 HD11 HG11 ' A' ' 454' ' ' VAL . 0.4 OUTLIER -151.29 136.31 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.7 m -122.97 128.0 49.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.764 HG11 ' CD1' ' A' ' 441' ' ' TYR . 26.1 t -134.27 129.72 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -84.72 144.88 28.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.967 HD11 ' CG2' ' A' ' 500' ' ' THR . 29.9 pt -126.92 -39.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.478 ' HA2' ' N ' ' A' ' 424' ' ' ASN . . . 36.14 -90.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -54.61 -10.68 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.96 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 0.867 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -112.0 132.96 54.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.31 -13.77 54.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -151.92 163.32 39.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.88 HD23 ' C ' ' A' ' 477' ' ' LEU . 0.2 OUTLIER -140.64 134.28 30.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 2.4 tt0 -104.24 129.0 52.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.267 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.615 ' HA ' ' O ' ' A' ' 440' ' ' HIS . . . -143.53 166.64 24.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -139.78 168.99 18.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.626 ' CE1' ' CE2' ' A' ' 430' ' ' TYR . 1.4 t80 -108.53 144.46 36.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.516 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.9 OUTLIER -160.26 136.25 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.563 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 14.1 p-10 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 0.988 ' CD1' HD11 ' A' ' 516' ' ' ILE . 55.3 m-85 -94.23 147.0 23.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 17.8 t -117.87 133.07 56.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . 0.734 ' CE1' HG21 ' A' ' 516' ' ' ILE . 8.5 m-85 -133.44 142.34 48.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.494 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -97.81 154.03 17.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.967 ' CG2' HD11 ' A' ' 471' ' ' ILE . 34.9 p -30.47 145.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 121.07 -145.58 17.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.489 HG23 ' HB ' ' A' ' 427' ' ' THR . 33.9 m -129.4 137.09 50.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 0.0 110.427 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 10.5 p -130.71 148.53 52.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.414 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 17.1 m -111.54 138.19 48.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 3.2 t80 -122.0 123.86 42.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.75 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.9 m -129.44 146.52 61.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . 0.75 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.89 139.55 30.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.433 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 0.988 HD11 ' CD1' ' A' ' 496' ' ' TYR . 3.1 mt -123.82 138.91 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . 0.414 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.6 OUTLIER -132.02 162.61 30.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.43 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 20.4 m -103.93 93.08 4.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 134.21 130.49 3.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.501 ' HB1' ' CD2' ' A' ' 429' ' ' TYR . . . -67.26 152.6 95.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . 0.405 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.43 ' HB3' HG22 ' A' ' 500' ' ' THR . 14.3 m120 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 137.02 51.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.602 HG11 HD23 ' A' ' 477' ' ' LEU . 4.4 t -127.63 120.59 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 0.934 ' HB ' HG23 ' A' ' 502' ' ' THR . 66.1 m -105.72 127.3 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . 0.729 HG21 HD11 ' A' ' 439' ' ' ILE . 2.9 mt -125.02 120.57 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.701 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 14.3 m-30 -114.0 113.3 24.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.608 ' CE2' ' O ' ' A' ' 431' ' ' LYS . 11.0 t80 -107.76 140.16 41.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.608 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 3.6 tmtm? -62.73 140.39 58.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 4.2 ttmt -79.56 106.83 11.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -121.47 6.58 10.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.605 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 15.6 m-85 -136.67 -59.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.605 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.3 m120 147.99 -63.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.288 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.469 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 8.3 t -131.07 61.54 60.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.2 Cg_endo -75.01 156.17 42.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 438' ' ' TYR . 7.1 m-85 -107.02 151.24 25.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.729 HD11 HG21 ' A' ' 428' ' ' ILE . 2.4 tt -131.18 119.08 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.537 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 1.7 t-160 -93.33 120.74 33.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.611 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.896 ' CD2' HG21 ' A' ' 469' ' ' VAL . 5.7 p90 -123.74 150.68 44.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.718 ' C ' HD12 ' A' ' 477' ' ' LEU . 2.3 ttp180 -147.03 125.04 6.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 133.7 16.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -56.15 102.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 113.93 0.67 24.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -116.34 -148.83 9.14 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 448' ' ' TRP . 12.0 t -121.61 -176.94 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.662 ' CZ2' ' ND2' ' A' ' 495' ' ' ASN . 71.5 m95 -91.08 162.13 14.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 107.995 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . 0.485 ' N ' ' HE2' ' A' ' 440' ' ' HIS . 0.2 OUTLIER -77.34 -177.85 4.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -77.43 97.93 5.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.64 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.95 139.31 70.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.621 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.4 Cg_endo -74.93 120.53 6.7 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.024 -0.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.64 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.91 -130.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.65 HG11 HD11 ' A' ' 467' ' ' ILE . 10.1 p -133.03 138.94 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -60.19 113.14 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 0.957 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 37.7 mtm -59.39 128.75 38.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 466' ' ' LYS . 23.8 mm-40 -59.06 176.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.87 135.22 33.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.899 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -113.39 109.52 18.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 461' ' ' ILE . 12.8 pt-20 -66.15 -14.15 61.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.545 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -31.19 -46.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.4 m 155.19 44.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.29 48.21 2.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.892 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.2 m-85 -127.33 179.99 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.777 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.957 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -122.99 148.3 45.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.899 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 47.6 mtpt -128.24 146.25 50.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 0.65 HD11 HG11 ' A' ' 454' ' ' VAL . 0.3 OUTLIER -151.67 129.12 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . 0.436 HG23 ' OG1' ' A' ' 427' ' ' THR . 3.2 m -120.93 125.42 47.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.896 HG21 ' CD2' ' A' ' 441' ' ' TYR . 14.7 t -132.99 136.92 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 424' ' ' ASN . 2.9 t70 -89.96 146.62 24.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.771 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 8.7 pt -129.53 8.32 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.714 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -22.07 108.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.714 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 7.1 t 106.13 -13.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 0.771 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -106.44 133.97 50.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.55 -15.7 56.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.041 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -155.35 161.73 40.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.718 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.1 OUTLIER -140.71 143.31 34.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.163 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.459 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 0.4 OUTLIER -95.99 148.18 22.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.82 ' HB3' ' CE1' ' A' ' 498' ' ' PHE . . . -136.28 156.63 48.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . 0.673 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -144.76 148.75 34.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.596 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 3.2 t80 -109.01 142.72 39.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.46 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.4 OUTLIER -160.54 148.17 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.574 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 15.9 p-10 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . 0.673 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 1.7 m-20 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 0.854 ' CD1' HD11 ' A' ' 516' ' ' ILE . 55.1 m-85 -88.17 161.56 17.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . 0.489 ' C ' ' CD1' ' A' ' 498' ' ' PHE . 40.6 t -129.2 138.78 51.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . 0.82 ' CE1' ' HB3' ' A' ' 479' ' ' ALA . 0.8 OUTLIER -141.88 145.34 34.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.525 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -97.68 146.14 25.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.752 ' CG2' HD11 ' A' ' 471' ' ' ILE . 41.0 p -28.75 142.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 127.11 -144.1 14.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.934 HG23 ' HB ' ' A' ' 427' ' ' THR . 1.3 m -129.54 131.3 46.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 517' ' ' THR . 4.2 p -130.94 149.31 52.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.434 ' OG1' ' HD3' ' A' ' 521' ' ' PRO . 37.3 m -111.97 138.69 48.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.448 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -121.26 122.45 39.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.783 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.1 m -129.62 147.31 64.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . 0.783 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.14 140.84 29.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 0.854 HD11 ' CD1' ' A' ' 496' ' ' TYR . 11.3 mt -123.22 138.96 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 503' ' ' SER . 0.0 OUTLIER -132.77 162.94 30.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.395 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 4.7 m -105.43 92.48 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 133.69 131.24 3.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.558 ' HB1' ' CD2' ' A' ' 429' ' ' TYR . . . -67.72 147.65 98.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . 0.458 ' HG2' HG21 ' A' ' 461' ' ' ILE . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.458 ' N ' ' HA2' ' A' ' 472' ' ' GLY . 2.1 m120 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.48 ' HD2' HG22 ' A' ' 468' ' ' THR . 0.1 OUTLIER -130.1 144.47 51.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.89 117.03 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 0.844 ' HB ' HG23 ' A' ' 502' ' ' THR . 96.1 m -103.22 135.52 44.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . 0.414 ' HB ' HG22 ' A' ' 467' ' ' ILE . 2.5 mt -133.21 122.15 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.697 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.3 m-30 -114.0 110.91 20.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.607 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.0 t80 -106.79 140.27 39.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.606 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -62.96 140.86 58.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.4 ttmm -82.81 109.73 17.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -126.53 16.03 6.66 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.58 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 28.9 m-85 -146.22 -63.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.58 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.2 m120 149.29 -63.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.463 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 58.1 m -130.25 61.77 60.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.463 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.02 144.08 29.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.584 ' CD2' ' HB2' ' A' ' 452' ' ' PRO . 76.4 m-85 -91.28 150.93 21.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.39 125.86 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.524 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 6.2 t60 -100.53 117.97 35.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.604 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.814 ' CE1' HG11 ' A' ' 469' ' ' VAL . 4.9 p90 -132.91 151.56 52.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.618 ' HG2' ' CE2' ' A' ' 448' ' ' TRP . 0.0 OUTLIER -153.53 131.99 6.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . 0.419 ' O ' ' HD2' ' A' ' 442' ' ' ARG . 18.1 Cg_endo -75.06 134.75 18.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . 0.483 ' HA ' HH21 ' A' ' 442' ' ' ARG . . . -44.43 135.95 4.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 64.49 16.01 60.15 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -109.51 -134.7 7.03 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.36 146.75 30.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.618 ' CE2' ' HG2' ' A' ' 442' ' ' ARG . 86.4 m95 -73.75 156.47 37.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 107.968 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . 0.412 ' O ' ' CE1' ' A' ' 440' ' ' HIS . 1.7 p -73.32 -174.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.528 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -89.44 95.88 10.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.449 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -52.21 127.24 37.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.64 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -74.97 144.54 81.3 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.99 -0.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -45.74 -116.91 0.0 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.404 HG13 HD11 ' A' ' 467' ' ' ILE . 3.5 p -130.67 142.13 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . 0.447 ' O ' ' NE2' ' A' ' 457' ' ' GLN . 0.4 OUTLIER -68.53 115.02 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 0.864 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -46.28 120.04 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 455' ' ' LYS . 27.5 mm-40 -47.4 174.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.31 133.7 34.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.833 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -113.71 105.4 13.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.5 pt-20 -59.78 -15.5 20.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.561 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.2 mm -29.39 -47.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.0 OUTLIER 154.48 44.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.03 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.15 46.53 2.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.827 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.8 m-85 -126.84 179.89 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.864 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.07 147.22 48.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.833 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 51.1 mtpt -127.39 146.98 50.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 0.813 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.2 tp -150.97 129.47 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . 0.48 HG22 ' HD2' ' A' ' 425' ' ' LYS . 1.7 m -121.61 123.5 42.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.814 HG11 ' CE1' ' A' ' 441' ' ' TYR . 21.4 t -131.85 133.38 61.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.78 145.48 26.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.9 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 40.0 pt -121.96 -38.15 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.458 ' HA2' ' N ' ' A' ' 424' ' ' ASN . . . 36.88 -91.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -55.29 -13.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.988 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 0.9 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -108.28 127.29 53.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.31 -13.03 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -153.37 161.78 41.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.592 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -140.61 131.85 26.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.453 ' OE1' ' NH2' ' A' ' 442' ' ' ARG . 0.8 OUTLIER -111.56 135.69 51.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.721 ' HB2' ' CB ' ' A' ' 441' ' ' TYR . . . -149.34 162.92 39.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -130.89 169.05 16.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.607 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.8 t80 -109.16 145.75 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.457 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 1.0 OUTLIER -161.58 137.88 8.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 434' ' ' PHE . 20.1 p-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . 0.412 ' OD1' ' CZ2' ' A' ' 448' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 0.704 ' CD1' HD11 ' A' ' 516' ' ' ILE . 64.0 m-85 -94.46 153.87 17.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.7 t -112.15 141.36 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . 0.45 ' HE1' HG21 ' A' ' 516' ' ' ILE . 15.6 m-85 -138.0 146.98 43.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.481 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.1 OUTLIER -107.88 154.84 21.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.035 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.712 HG22 HD11 ' A' ' 471' ' ' ILE . 36.8 p -32.4 143.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 119.0 -146.41 18.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.844 HG23 ' HB ' ' A' ' 427' ' ' THR . 11.2 m -129.17 137.84 51.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 9.1 p -132.78 148.68 52.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.946 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.419 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 3.8 m -111.02 139.02 46.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.373 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 3.0 t80 -120.23 125.78 49.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.76 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.7 m -133.2 147.0 63.36 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . 0.76 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.599 1.842 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.67 142.57 27.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.74 . . . . 0.0 110.422 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 0.704 HD11 ' CD1' ' A' ' 496' ' ' TYR . 1.6 mt -123.19 138.36 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . 0.419 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.6 OUTLIER -128.7 162.13 28.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.423 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 79.1 p -105.55 93.12 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.976 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.19 131.69 3.41 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -58.79 156.22 26.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 0.798 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 110.966 -179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.557 ' HB3' HG22 ' A' ' 500' ' ' THR . 26.6 m120 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 426' ' ' VAL . 0.8 OUTLIER -128.1 145.73 50.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.479 ' CG2' HD13 ' A' ' 471' ' ' ILE . 8.8 t -127.6 124.99 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 0.857 ' HB ' HG23 ' A' ' 502' ' ' THR . 54.8 m -109.69 136.48 48.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 2.6 mt -132.51 122.03 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.701 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.6 m-30 -114.47 110.51 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.612 ' CE2' ' O ' ' A' ' 431' ' ' LYS . 19.4 t80 -107.06 139.38 41.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.612 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.4 OUTLIER -64.14 140.27 58.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.3 ttmt -76.82 104.69 7.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -119.37 7.01 12.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.614 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 17.2 m-85 -140.25 -60.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 111.053 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 12.8 m-20 147.07 -60.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.476 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 49.5 m -132.43 61.18 55.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.99 151.24 39.32 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.508 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 65.3 m-85 -99.02 151.31 21.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.542 HG21 HG21 ' A' ' 467' ' ' ILE . 0.1 OUTLIER -133.09 119.12 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 448' ' ' TRP . 2.9 t60 -92.36 121.23 33.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.794 ' CD1' HG11 ' A' ' 469' ' ' VAL . 6.6 p90 -129.34 151.78 49.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.53 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.9 ttt180 -153.35 125.11 3.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.333 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.88 18.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . 0.459 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -53.86 101.8 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 104.66 8.47 37.31 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.13 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -111.64 -152.95 12.3 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.9 155.45 35.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.044 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.53 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 36.7 m95 -70.58 158.88 35.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.038 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . 0.683 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -81.58 -175.29 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -81.12 96.07 7.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.676 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -58.48 138.77 85.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.619 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.96 118.62 5.41 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.977 -2.51 . . . . 0.0 111.024 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.676 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 13.27 -130.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 14.6 p -132.96 138.69 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.57 110.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 0.897 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 24.4 mtm -50.82 123.64 9.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 13.9 mt-30 -52.83 174.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.63 131.98 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.359 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.85 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -110.5 107.95 17.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.4 pt-20 -59.67 -15.09 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.239 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.576 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.2 mm -30.06 -45.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.2 m 152.76 44.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.036 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 95.72 45.73 2.86 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.686 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 2.3 m-85 -123.05 -179.82 4.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 0.731 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.897 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.75 144.34 50.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.85 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 56.5 mtpt -126.13 143.91 50.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 0.887 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.3 tp -150.89 129.7 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.5 m -119.0 122.81 43.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.794 HG11 ' CD1' ' A' ' 441' ' ' TYR . 44.1 t -124.54 127.11 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.05 145.3 30.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.764 HD11 ' CG2' ' A' ' 500' ' ' THR . 11.1 pt -131.68 28.0 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.638 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -51.63 78.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.2 m 148.27 -15.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 0.742 . . . . 0.0 109.944 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -123.57 135.49 54.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.0 -8.19 57.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -154.51 162.4 41.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.858 HD23 ' C ' ' A' ' 477' ' ' LEU . 0.2 OUTLIER -141.95 139.36 32.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 3.2 tt0 -107.34 128.08 54.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.542 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -144.85 162.34 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -138.47 168.54 19.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.591 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.1 t80 -109.53 145.42 36.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.506 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.5 OUTLIER -162.33 135.61 6.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.432 ' OD2' ' N ' ' A' ' 483' ' ' ASP . 10.6 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . 0.476 ' N ' ' OD1' ' A' ' 495' ' ' ASN . 6.4 p-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 0.501 ' O ' ' HA ' ' A' ' 478' ' ' GLU . 47.7 m-85 -95.92 152.79 18.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 48.5 t -115.41 139.1 50.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . 0.715 ' HE1' HG21 ' A' ' 516' ' ' ILE . 8.9 m-85 -137.59 143.21 41.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.508 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -100.06 149.63 23.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.764 ' CG2' HD11 ' A' ' 471' ' ' ILE . 41.4 p -28.67 141.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 125.51 -146.63 16.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.434 1.084 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.857 HG23 ' HB ' ' A' ' 427' ' ' THR . 8.1 m -129.87 138.59 51.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.455 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 6.3 p -133.86 148.02 51.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.406 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 6.0 m -115.19 137.95 51.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.447 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -121.76 118.96 30.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 3.0 m -118.69 121.85 30.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.477 1.778 . . . . 0.0 111.03 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.93 138.46 31.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 110.453 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 0.715 HG21 ' HE1' ' A' ' 498' ' ' PHE . 4.3 mt -123.58 138.07 54.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . 0.406 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 1.2 p -126.5 162.06 26.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 58.5 m -105.38 91.5 3.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 132.94 132.57 3.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.552 1.158 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.27 156.58 28.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.414 ' HB3' HG22 ' A' ' 500' ' ' THR . 10.8 m-80 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.745 ' HD2' HG22 ' A' ' 468' ' ' THR . 5.8 tppt? -128.7 146.34 50.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.592 ' CG2' HD13 ' A' ' 471' ' ' ILE . 9.9 t -133.77 123.8 46.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 0.919 ' HB ' HG23 ' A' ' 502' ' ' THR . 74.5 m -112.21 134.18 53.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -132.93 122.76 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.693 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.2 m-30 -114.2 113.06 24.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.605 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.2 t80 -107.39 140.55 40.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -62.71 140.78 58.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.8 ttmt -74.07 117.53 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.41 10.02 6.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.557 ' CZ ' ' OD2' ' A' ' 483' ' ' ASP . 0.4 OUTLIER -144.14 -70.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 110.959 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 0.4 OUTLIER 154.42 -25.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.505 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 46.0 m -166.29 59.34 0.54 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.03 150.57 38.22 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.574 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 20.8 m-85 -97.74 152.11 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.492 HG21 HG21 ' A' ' 467' ' ' ILE . 0.2 OUTLIER -132.9 123.72 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.73 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 21.6 t60 -96.46 122.98 39.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.624 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 1.002 ' CE1' HG11 ' A' ' 469' ' ' VAL . 6.7 p90 -129.97 152.47 49.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.519 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.5 ttt180 -152.65 125.92 4.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 134.95 18.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.796 . . . . 0.0 111.051 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -54.48 102.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 105.69 5.71 38.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -109.16 -150.24 13.69 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.28 154.98 44.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.777 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.73 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 41.3 m95 -69.65 158.29 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 0.0 108.039 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . 0.579 HG22 ' H ' ' A' ' 450' ' ' ALA . 2.1 m -83.63 -171.16 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.365 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.579 ' H ' HG22 ' A' ' 449' ' ' THR . . . -80.67 100.15 8.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.589 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -63.99 132.07 95.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.658 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -75.05 121.9 7.77 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.981 0.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.658 ' C ' ' O ' ' A' ' 452' ' ' PRO . . . -0.47 -118.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.751 ' CG1' HD11 ' A' ' 467' ' ' ILE . 0.3 OUTLIER -132.36 157.56 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.262 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -78.84 106.07 10.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 0.899 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -42.18 120.85 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.94 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 466' ' ' LYS . 41.6 mm-40 -52.68 174.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.52 133.83 34.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.84 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -113.74 108.04 16.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' ' 461' ' ' ILE . 10.6 pt-20 -63.25 -18.77 63.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' A' ' 462' ' ' SER . 1.0 OUTLIER -29.66 -47.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.2 m 155.73 60.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 77.98 47.6 8.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.84 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 4.2 m-85 -125.14 177.33 6.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.899 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -122.96 144.91 48.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.836 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 50.9 mtpt -125.01 146.28 49.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 0.868 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.5 tp -151.28 128.89 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . 0.784 HG23 ' OG1' ' A' ' 427' ' ' THR . 3.4 m -125.0 121.24 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 1.002 HG11 ' CE1' ' A' ' 441' ' ' TYR . 15.0 t -130.9 140.48 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 425' ' ' LYS . 3.2 t70 -89.97 146.75 24.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.971 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 7.3 pt -116.21 -14.38 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 74.01 -101.42 1.22 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.7 -12.83 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.803 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 0.971 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -52.71 124.58 14.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 1.4 t -74.19 -15.61 61.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.003 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -156.77 163.28 39.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.271 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.86 134.98 32.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 0.5 OUTLIER -102.02 129.26 48.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.532 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -147.69 162.02 40.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . 0.45 ' O ' ' CD1' ' A' ' 439' ' ' ILE . . . -138.67 168.7 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.605 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.7 t80 -110.49 146.67 35.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.518 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 3.6 p30 -162.17 146.85 12.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.557 ' OD2' ' CZ ' ' A' ' 434' ' ' PHE . 30.7 p30 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 495' ' ' ASN . 6.5 p-10 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 1.046 ' CD1' HD11 ' A' ' 516' ' ' ILE . 84.3 m-85 -94.46 156.98 16.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 28.3 t -120.0 136.37 54.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -134.22 140.75 46.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.526 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -99.14 151.16 21.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.028 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.869 HG22 HD11 ' A' ' 471' ' ' ILE . 23.9 p -27.75 140.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.438 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 122.57 -150.67 16.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.919 HG23 ' HB ' ' A' ' 427' ' ' THR . 10.4 m -127.98 136.59 51.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 110.422 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.87 147.53 52.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.96 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.423 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 8.5 m -108.26 138.77 43.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -120.8 125.56 47.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.755 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.8 m -131.86 147.03 64.29 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.444 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . 0.755 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.15 140.43 29.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.399 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 1.046 HD11 ' CD1' ' A' ' 496' ' ' TYR . 4.8 mt -123.5 137.91 55.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . 0.423 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.1 OUTLIER -128.57 161.34 29.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.422 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 6.2 m -104.56 92.26 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.944 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 127.0 131.99 3.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.512 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -60.12 155.17 46.64 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.112 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . . . . . . . . . 12.8 m120 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.18 139.14 52.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.653 HG11 HD12 ' A' ' 477' ' ' LEU . 29.1 t -129.17 128.49 66.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 0.79 ' HB ' HG23 ' A' ' 502' ' ' THR . 88.3 m -117.81 133.58 55.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.36 121.91 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.702 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 14.1 m-30 -113.09 114.4 26.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.587 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 28.3 t80 -107.9 139.86 41.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 9.8 tttt -63.0 140.21 58.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.6 ttmm -76.26 105.2 7.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -123.15 13.27 8.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.595 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 32.5 m-85 -145.59 -64.1 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.595 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 7.8 p-10 148.34 -54.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.476 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 24.4 p -137.93 61.06 26.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.1 Cg_endo -75.02 146.23 32.31 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.506 1.793 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.532 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 56.0 m-85 -94.19 148.83 21.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.531 HD13 ' N ' ' A' ' 440' ' ' HIS . 0.1 OUTLIER -131.63 119.47 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.578 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 5.2 t60 -93.44 125.8 38.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 1.073 ' CE1' HG11 ' A' ' 469' ' ' VAL . 8.7 p90 -133.98 153.13 51.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.499 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.3 ttt180 -156.38 126.26 3.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.44 17.79 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.7 99.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.39 2.98 29.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -107.02 -149.39 15.86 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.97 157.63 40.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.578 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 50.5 m95 -73.18 156.88 38.14 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . 0.481 HG22 ' H ' ' A' ' 450' ' ' ALA . 1.3 m -83.6 -174.24 5.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.481 ' H ' HG22 ' A' ' 449' ' ' THR . . . -76.85 97.72 4.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.658 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -62.36 137.79 96.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.659 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.0 119.52 6.02 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.026 -0.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.659 ' C ' ' O ' ' A' ' 452' ' ' PRO . . . 8.37 -126.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.92 150.74 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . 0.452 ' O ' ' NE2' ' A' ' 457' ' ' GLN . 2.5 ttmt -69.89 111.34 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 0.989 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 24.8 mtm -50.84 126.83 16.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 455' ' ' LYS . 35.1 mm-40 -53.91 174.4 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.251 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.36 131.89 35.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.88 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -108.57 117.11 33.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 461' ' ' ILE . 11.3 pt-20 -67.52 -19.7 65.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.557 ' O ' ' CB ' ' A' ' 462' ' ' SER . 0.9 OUTLIER -29.58 -45.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.3 m 154.29 58.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 78.34 52.45 5.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.053 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.659 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 1.9 m-85 -126.96 -178.13 4.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 111.018 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.989 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -125.06 146.06 49.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.88 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 47.4 mtpt -130.21 143.76 50.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 0.98 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.2 tp -151.0 130.63 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . 0.783 HG23 ' OG1' ' A' ' 427' ' ' THR . 5.3 m -127.28 121.78 32.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.41 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 1.073 HG11 ' CE1' ' A' ' 441' ' ' TYR . 4.2 t -132.24 137.68 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 472' ' ' GLY . 4.4 t70 -82.51 146.48 29.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.611 HD11 HG22 ' A' ' 500' ' ' THR . 16.7 pt -125.79 7.83 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.678 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -26.09 116.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.039 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.678 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 4.7 t 102.02 -12.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.977 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 0.479 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -114.74 130.1 56.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.42 -11.84 59.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -154.75 161.37 41.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.952 HD22 ' N ' ' A' ' 478' ' ' GLU . 0.0 OUTLIER -132.46 142.07 49.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.952 ' N ' HD22 ' A' ' 477' ' ' LEU . 0.5 OUTLIER -115.18 128.93 56.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.572 ' HA ' ' O ' ' A' ' 440' ' ' HIS . . . -147.23 163.54 36.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . 0.808 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -138.03 168.43 19.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.587 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.3 t80 -109.4 145.12 36.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.483 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.4 OUTLIER -162.17 138.75 7.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.527 ' CB ' ' CE2' ' A' ' 434' ' ' PHE . 18.1 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . 0.808 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 1.2 m-80 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 0.783 ' CD1' HD11 ' A' ' 516' ' ' ILE . 61.2 m-85 -85.17 151.6 23.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 15.3 t -115.15 133.97 55.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . 0.611 ' N ' ' CD1' ' A' ' 498' ' ' PHE . 0.6 OUTLIER -135.19 143.19 46.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.55 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -99.61 145.46 27.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.611 HG22 HD11 ' A' ' 471' ' ' ILE . 45.4 p -26.62 139.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 125.5 -144.95 15.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.79 HG23 ' HB ' ' A' ' 427' ' ' THR . 10.0 m -129.75 137.96 50.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.413 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.7 p -133.03 148.75 52.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.415 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 5.1 m -108.09 139.0 43.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.438 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 2.1 t80 -123.06 123.67 41.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.692 HG23 ' HD2' ' A' ' 507' ' ' PRO . 4.0 m -130.46 146.05 60.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.397 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . 0.692 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.84 139.74 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 0.783 HD11 ' CD1' ' A' ' 496' ' ' TYR . 3.1 mt -123.43 139.57 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . 0.415 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.0 OUTLIER -128.55 162.3 27.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 13.6 p -108.01 92.94 4.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 126.88 133.45 3.82 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.07 153.33 46.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 0.799 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.503 ' HB3' HG22 ' A' ' 500' ' ' THR . 17.9 m120 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 146.7 50.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.501 HG11 HD12 ' A' ' 477' ' ' LEU . 13.6 t -132.05 124.21 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 0.794 ' HB ' HG23 ' A' ' 502' ' ' THR . 88.1 m -111.89 135.09 52.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.444 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.2 mp -132.12 122.66 49.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.696 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.3 m-30 -114.33 111.32 21.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.652 ' CE1' ' O ' ' A' ' 431' ' ' LYS . 0.1 OUTLIER -107.18 139.18 42.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.652 ' O ' ' CE1' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -62.65 139.98 58.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 1.4 ttmm -72.86 114.67 11.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -124.43 1.36 8.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 483' ' ' ASP . 1.0 OUTLIER -135.68 -68.25 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 111.016 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.5 p30 152.97 -29.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 97.5 p -164.24 60.4 0.81 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.054 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 430' ' ' TYR . 18.3 Cg_endo -74.97 160.5 40.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.462 ' O ' ' ND2' ' A' ' 482' ' ' ASN . 27.8 m-85 -104.97 150.87 24.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.644 HG21 HG21 ' A' ' 467' ' ' ILE . 0.3 OUTLIER -131.5 118.98 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.481 ' CD2' ' H ' ' A' ' 449' ' ' THR . 1.8 t-160 -92.27 123.55 35.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.61 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.937 ' CD1' HG11 ' A' ' 469' ' ' VAL . 7.1 p90 -125.95 151.13 47.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.538 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.0 ttt180 -152.23 122.84 3.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.33 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.1 Cg_endo -75.03 134.08 17.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.55 1.816 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -52.94 98.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.85 4.22 28.02 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -108.98 -150.91 14.25 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.5 156.79 38.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.538 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 33.8 m95 -71.06 160.02 33.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . 0.481 ' H ' ' CD2' ' A' ' 440' ' ' HIS . 0.2 OUTLIER -82.24 -178.91 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -78.84 99.43 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.66 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -57.32 140.19 79.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.0 120.01 6.36 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.017 -0.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.66 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.81 -129.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.552 HG11 ' HE2' ' A' ' 441' ' ' TYR . 10.2 p -132.6 139.76 49.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -60.1 121.37 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 0.9 ' HA ' HD13 ' A' ' 467' ' ' ILE . 34.7 mtp -70.91 138.06 49.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.24 174.32 5.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.82 135.28 35.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.868 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -111.0 106.24 15.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.1 pt-20 -60.92 -13.38 15.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.571 ' O ' ' CB ' ' A' ' 462' ' ' SER . 3.6 mm -32.84 -46.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 153.72 44.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.936 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.13 48.34 2.26 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.859 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.6 m-85 -129.24 -177.2 4.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.812 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -125.15 150.27 47.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.868 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 47.5 mtpt -129.47 148.45 51.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 0.9 HD13 ' HA ' ' A' ' 456' ' ' MET . 4.9 tp -150.6 129.36 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . 0.425 HG23 ' OG1' ' A' ' 427' ' ' THR . 1.8 m -121.35 119.26 31.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.937 HG11 ' CD1' ' A' ' 441' ' ' TYR . 25.5 t -129.84 128.67 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 472' ' ' GLY . 2.9 t70 -83.71 146.64 28.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.831 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 9.2 pt -120.3 -10.26 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.428 ' N ' ' OD1' ' A' ' 470' ' ' ASP . . . 72.87 -100.36 1.01 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.73 -13.99 15.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 0.831 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -40.05 130.83 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.61 -22.02 60.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -157.41 163.25 38.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.982 ' C ' HD13 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -136.83 141.33 42.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.614 ' N ' HD22 ' A' ' 477' ' ' LEU . 0.2 OUTLIER -97.98 142.54 29.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.717 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -134.0 156.17 48.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . 0.685 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -145.63 146.81 31.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.521 ' CE1' ' CE2' ' A' ' 430' ' ' TYR . 4.1 t80 -109.76 138.86 45.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 438' ' ' TYR . 2.2 p30 -162.93 135.3 5.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 17.8 p-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . 0.685 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 0.717 ' CE1' HD11 ' A' ' 516' ' ' ILE . 33.1 m-85 -83.4 158.5 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 32.7 t -131.91 128.14 37.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.047 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . 0.806 ' CE1' HG21 ' A' ' 516' ' ' ILE . 5.7 m-85 -132.99 151.24 52.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -100.24 149.73 23.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.002 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.773 ' CG2' HD11 ' A' ' 471' ' ' ILE . 34.2 p -27.35 140.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 129.0 -148.3 18.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.794 HG23 ' HB ' ' A' ' 427' ' ' THR . 18.1 m -127.49 138.16 52.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.367 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.3 p -136.16 149.42 48.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 2.9 m -115.64 138.86 50.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 13.8 t80 -119.63 126.45 51.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.787 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.4 m -127.89 147.32 62.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . 0.787 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.205 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.18 138.14 31.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.37 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 0.806 HG21 ' CE1' ' A' ' 498' ' ' PHE . 2.0 mt -124.04 139.61 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.49 162.23 28.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 2.6 m -106.39 94.08 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 132.37 134.78 3.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.25 156.03 31.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . 0.549 ' HG2' HG21 ' A' ' 461' ' ' ILE . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.49 ' HB3' HG22 ' A' ' 500' ' ' THR . 24.2 m120 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.567 ' HD2' HG22 ' A' ' 468' ' ' THR . 3.8 tppt? -128.08 142.56 51.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 500' ' ' THR . 13.5 t -129.15 124.76 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 0.932 ' HB ' HG23 ' A' ' 502' ' ' THR . 23.8 m -113.69 136.15 53.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.389 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . 0.646 HG21 HD11 ' A' ' 439' ' ' ILE . 5.4 mt -132.76 122.85 47.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.719 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 17.5 m-30 -115.14 110.77 20.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.642 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 5.1 t80 -107.91 140.24 41.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.542 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -64.85 140.62 58.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.5 ttmm -74.46 118.5 17.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.83 1.34 6.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 483' ' ' ASP . 0.2 OUTLIER -134.51 -68.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.535 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.6 p30 152.54 -32.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.501 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 79.1 p -157.06 59.72 1.89 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.054 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.501 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.96 152.56 41.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.811 . . . . 0.0 111.064 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.432 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 32.9 m-85 -101.99 146.21 28.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.656 HG21 HG21 ' A' ' 467' ' ' ILE . 7.3 tt -123.49 117.32 50.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.844 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 47.8 t60 -94.04 117.22 29.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.625 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 1.014 ' CE1' HG11 ' A' ' 469' ' ' VAL . 10.4 p90 -130.19 153.89 48.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.588 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.9 ttt180 -151.42 123.71 4.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.12 17.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 474' ' ' ALA . . . -53.25 99.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.39 4.82 28.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -110.69 -151.88 12.77 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.56 156.35 39.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.977 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.844 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 35.1 m95 -68.48 164.44 21.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.023 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.49 177.48 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -74.03 94.24 2.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.649 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -54.96 139.19 63.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.599 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.97 120.17 6.46 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.004 -0.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.649 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.95 -133.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.842 HG11 HD11 ' A' ' 467' ' ' ILE . 2.6 p -132.26 135.76 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -57.24 109.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 0.817 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -52.9 124.93 15.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 466' ' ' LYS . 6.8 mm100 -51.3 174.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.45 134.02 34.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.881 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -113.8 103.37 11.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.1 pt-20 -60.08 -15.5 23.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.567 ' O ' ' CB ' ' A' ' 462' ' ' SER . 5.2 mm -28.95 -47.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.3 m 153.85 44.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.49 47.48 2.15 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.881 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 4.0 m-85 -128.73 177.06 7.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.817 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -122.31 147.72 45.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.853 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 54.2 mtpt -130.32 144.0 51.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 0.842 HD11 HG11 ' A' ' 454' ' ' VAL . 0.2 OUTLIER -150.55 130.06 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . 0.731 HG23 ' OG1' ' A' ' 427' ' ' THR . 5.2 m -123.77 127.84 48.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 1.014 HG11 ' CE1' ' A' ' 441' ' ' TYR . 4.4 t -133.18 136.37 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -85.36 145.48 27.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.859 HD11 ' CG2' ' A' ' 500' ' ' THR . 8.4 pt -129.33 24.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.648 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -48.28 83.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.9 m 147.1 -15.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 444' ' ' ALA . . . -125.9 141.26 52.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.113 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 15.2 m -88.75 1.84 54.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . 0.451 ' NE2' ' OG ' ' A' ' 497' ' ' SER . 2.5 tm0? -155.36 146.79 22.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 110.345 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.958 ' C ' HD13 ' A' ' 477' ' ' LEU . 0.1 OUTLIER -131.7 141.68 49.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.563 ' N ' HD13 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -99.35 145.32 27.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.217 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.624 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -140.04 158.23 44.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . 0.764 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -151.06 151.22 31.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.642 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.3 t80 -110.81 139.87 45.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.47 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.4 OUTLIER -161.41 144.05 12.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.55 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 30.0 p-10 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . 0.764 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 9.3 m-20 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 0.905 ' CD1' HD11 ' A' ' 516' ' ' ILE . 65.8 m-85 -86.48 157.24 19.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . 0.539 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 1.5 t -131.3 137.25 48.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . 1.019 ' CE1' HG21 ' A' ' 516' ' ' ILE . 9.9 m-85 -142.17 141.97 32.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.549 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -90.44 149.92 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.859 ' CG2' HD11 ' A' ' 471' ' ' ILE . 22.2 p -26.54 138.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 130.0 -148.4 18.47 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.932 HG23 ' HB ' ' A' ' 427' ' ' THR . 5.9 m -128.18 137.9 52.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 5.1 p -133.86 148.73 51.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.419 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 3.9 m -110.74 139.27 46.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 20.4 t80 -121.32 125.31 46.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.81 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.2 m -130.65 147.8 67.52 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . 0.81 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.84 138.49 31.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 0.798 . . . . 0.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 1.019 HG21 ' CE1' ' A' ' 498' ' ' PHE . 2.5 mt -123.39 138.19 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . 0.419 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.3 OUTLIER -128.49 162.11 27.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 5.1 m -105.41 93.43 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 128.68 132.08 3.49 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.34 155.84 33.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.542 ' HB3' HG22 ' A' ' 500' ' ' THR . 3.1 m-80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -123.4 152.18 41.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.516 HG11 HD12 ' A' ' 477' ' ' LEU . 39.3 t -127.05 132.81 69.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 0.839 ' HB ' HG23 ' A' ' 502' ' ' THR . 53.0 m -122.25 132.5 54.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.427 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . 0.568 HG21 HD11 ' A' ' 439' ' ' ILE . 1.6 mt -132.21 123.19 50.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.708 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.5 m-30 -114.37 110.82 20.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 431' ' ' LYS . 16.5 t80 -105.59 139.01 40.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.611 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -64.98 139.52 58.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 0.4 OUTLIER -73.9 112.05 9.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -121.19 0.04 11.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 483' ' ' ASP . 0.7 OUTLIER -134.28 -69.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 111.033 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.508 ' ND2' ' N ' ' A' ' 436' ' ' SER . 0.8 OUTLIER 155.18 -41.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.508 ' N ' ' ND2' ' A' ' 435' ' ' ASN . 28.8 t -147.71 60.03 5.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.97 153.25 41.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 9.8 m-30 -103.25 149.69 24.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.568 HD11 HG21 ' A' ' 428' ' ' ILE . 3.7 tt -132.46 118.09 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.546 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 1.9 t-160 -92.93 121.8 34.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.572 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.915 ' CE1' HG11 ' A' ' 469' ' ' VAL . 7.2 p90 -124.65 151.24 45.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.586 ' O ' HD22 ' A' ' 477' ' ' LEU . 2.4 ttt180 -152.2 121.29 3.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.97 18.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -52.21 104.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 104.95 6.46 39.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.123 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -110.21 -150.2 12.66 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.88 154.54 46.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.53 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 36.6 m95 -69.05 157.2 37.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . 0.488 HG22 ' H ' ' A' ' 450' ' ' ALA . 1.4 m -77.6 -175.81 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.488 ' H ' HG22 ' A' ' 449' ' ' THR . . . -77.8 95.54 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.65 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.23 139.26 65.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.607 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.94 120.37 6.58 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.977 -2.509 . . . . 0.0 111.028 -0.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.65 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.79 -137.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.624 HG11 ' HE2' ' A' ' 441' ' ' TYR . 9.9 p -133.28 141.71 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.259 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.72 132.56 52.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 0.715 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -76.93 127.88 33.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 466' ' ' LYS . 14.7 mm-40 -53.9 175.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.3 135.09 33.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.887 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -114.84 103.45 10.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.1 pt-20 -61.43 -14.11 25.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.531 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.1 mm -29.95 -48.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 156.88 43.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.16 48.16 2.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.887 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 6.1 m-85 -129.99 173.6 10.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.715 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -116.64 150.47 38.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.853 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 54.8 mtpt -130.08 146.13 51.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.254 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 0.493 HG21 HD13 ' A' ' 439' ' ' ILE . 0.0 OUTLIER -149.48 128.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . 0.513 HG23 ' OG1' ' A' ' 427' ' ' THR . 2.5 m -123.99 123.89 41.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.915 HG11 ' CE1' ' A' ' 441' ' ' TYR . 5.6 t -134.63 137.68 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -85.55 146.33 26.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.846 HD11 ' CG2' ' A' ' 500' ' ' THR . 7.7 pt -123.31 -0.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.649 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -17.51 114.08 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.5 t 99.15 -9.34 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 0.605 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -114.27 135.09 54.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.53 -10.98 57.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -154.87 163.78 39.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.976 ' C ' HD13 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -142.73 141.12 31.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.579 ' N ' HD22 ' A' ' 477' ' ' LEU . 0.4 OUTLIER -96.63 147.56 23.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.847 ' HB3' ' CE1' ' A' ' 498' ' ' PHE . . . -137.91 155.88 48.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . 1.011 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -145.06 148.71 33.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.576 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 4.9 t80 -110.27 145.45 37.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.47 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.4 OUTLIER -161.3 136.63 7.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.567 ' HB3' ' CE1' ' A' ' 434' ' ' PHE . 4.7 p-10 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . 1.011 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 0.926 ' CD1' HD11 ' A' ' 516' ' ' ILE . 71.0 m-85 -77.33 155.35 32.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . 0.462 ' C ' ' CD1' ' A' ' 498' ' ' PHE . 17.2 t -125.91 138.23 53.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . 0.847 ' CE1' ' HB3' ' A' ' 479' ' ' ALA . 0.5 OUTLIER -140.78 140.04 34.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.564 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -92.93 147.29 22.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.988 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.846 ' CG2' HD11 ' A' ' 471' ' ' ILE . 32.2 p -25.21 136.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 130.02 -147.47 18.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.839 HG23 ' HB ' ' A' ' 427' ' ' THR . 7.4 m -129.61 138.32 51.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 0.775 . . . . 0.0 110.39 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 59.7 p -135.32 149.6 49.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.058 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.447 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 5.2 m -108.42 138.91 43.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 2.4 t80 -118.63 124.29 47.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.843 HG23 ' HD2' ' A' ' 507' ' ' PRO . 1.6 m -132.79 148.42 69.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . 0.843 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 506' ' ' THR . 0.8 OUTLIER -94.15 141.97 27.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.421 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 0.926 HD11 ' CD1' ' A' ' 496' ' ' TYR . 2.7 mt -122.36 139.36 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . 0.447 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.0 OUTLIER -129.66 161.57 30.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.415 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 12.4 m -105.82 93.63 4.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 124.0 133.99 4.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.535 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -58.73 156.31 25.25 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.519 1.8 . . . . 0.0 110.976 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.494 ' CG ' HG21 ' A' ' 500' ' ' THR . 15.5 m-80 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.35 144.81 51.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.516 HG11 HD23 ' A' ' 477' ' ' LEU . 14.0 t -128.78 124.98 62.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 0.922 ' HB ' HG23 ' A' ' 502' ' ' THR . 97.8 m -115.24 135.47 54.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.2 mp -133.22 123.27 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.649 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.9 m-30 -114.17 111.29 21.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.597 ' CE1' ' O ' ' A' ' 431' ' ' LYS . 1.3 t80 -107.79 140.64 40.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.597 ' O ' ' CE1' ' A' ' 430' ' ' TYR . 12.4 tmtt? -63.9 140.96 58.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.9 ttmm -78.7 107.48 11.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -122.91 9.61 9.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.645 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 14.2 m-85 -138.87 -59.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.645 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.3 t-20 143.98 -56.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.487 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 3.2 m -135.33 60.35 38.08 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.487 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.1 Cg_endo -75.03 151.2 39.11 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 7.6 m-85 -102.48 152.42 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.175 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.51 ' CG2' HG12 ' A' ' 467' ' ' ILE . 0.0 OUTLIER -133.96 124.41 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.677 ' O ' ' HB1' ' A' ' 479' ' ' ALA . 1.9 t-160 -92.87 140.84 29.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.974 ' CD1' HG11 ' A' ' 469' ' ' VAL . 10.2 p90 -144.56 151.69 39.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.701 ' C ' HD12 ' A' ' 477' ' ' LEU . 1.0 OUTLIER -157.3 123.96 2.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.76 15.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . 0.68 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -52.08 105.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 109.69 -0.61 30.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -102.74 -139.68 10.58 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.94 155.26 47.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.592 ' CZ3' ' HB3' ' A' ' 442' ' ' ARG . 49.0 m95 -68.56 157.28 36.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 108.044 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . 0.818 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.6 OUTLIER -89.28 159.55 17.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -59.6 94.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.443 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -55.53 128.0 67.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.605 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.93 138.33 55.45 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.043 -2.482 . . . . 0.0 111.016 -0.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.605 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -35.9 -103.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 13.0 p -130.83 152.46 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.751 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -78.06 120.0 22.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 0.878 ' HA ' HD13 ' A' ' 467' ' ' ILE . 0.0 OUTLIER -52.75 117.55 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.053 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 1.7 mt-30 -52.64 174.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.62 135.65 35.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.862 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -113.96 104.92 12.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.3 pt-20 -60.36 -14.27 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.554 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.8 mm -31.14 -47.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.9 OUTLIER 155.22 44.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.17 47.09 2.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.862 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.5 m-85 -127.71 -176.98 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.754 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.837 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -127.11 147.17 50.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.839 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 47.2 mtpt -127.04 148.61 50.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 0.878 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.3 tp -150.3 133.0 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . 0.565 HG23 ' OG1' ' A' ' 427' ' ' THR . 2.5 m -126.4 123.41 37.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.974 HG11 ' CD1' ' A' ' 441' ' ' TYR . 3.4 t -131.85 134.82 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -85.17 146.05 27.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.872 HD11 ' CG2' ' A' ' 500' ' ' THR . 10.9 pt -132.12 23.65 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.658 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -48.53 83.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.658 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.9 m 146.13 -14.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 0.68 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -124.22 132.57 53.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -7.58 53.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . 0.416 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 5.1 mt-30 -152.73 161.47 42.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.701 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -137.23 131.65 32.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 1.3 tt0 -101.24 125.4 47.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.677 ' HB1' ' O ' ' A' ' 440' ' ' HIS . . . -135.08 161.89 34.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -132.84 166.37 22.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 482' ' ' ASN . 5.2 t80 -111.32 141.55 44.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 482' ' ' ASN . 0.4 OUTLIER -160.43 141.95 12.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.559 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 7.2 p-10 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . . . . . . . . . 3.9 p30 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 0.504 ' CB ' ' CZ ' ' A' ' 498' ' ' PHE . 28.5 m-85 -110.36 153.39 25.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.4 t -122.1 136.11 54.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . 0.728 ' HE2' HG21 ' A' ' 516' ' ' ILE . 3.2 m-85 -138.74 142.28 38.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.508 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -94.0 148.77 21.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.872 ' CG2' HD11 ' A' ' 471' ' ' ILE . 31.7 p -30.2 143.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.15 -144.31 15.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.436 1.085 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.922 HG23 ' HB ' ' A' ' 427' ' ' THR . 3.8 m -130.14 137.91 50.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 110.412 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.69 148.56 52.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.411 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 7.5 m -115.12 138.34 51.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.437 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . 0.515 ' CD2' HG12 ' A' ' 516' ' ' ILE . 18.0 t80 -122.63 121.3 36.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 2.9 m -124.28 135.29 26.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.69 138.4 31.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 110.414 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 0.728 HG21 ' HE2' ' A' ' 498' ' ' PHE . 4.0 mt -123.78 137.7 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . 0.411 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.8 OUTLIER -126.79 162.44 25.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.43 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 51.1 p -105.17 90.99 3.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 132.98 130.83 3.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.63 156.19 34.71 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.476 ' N ' ' HA2' ' A' ' 472' ' ' GLY . 3.3 m120 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.71 142.46 50.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.471 HG11 HD23 ' A' ' 477' ' ' LEU . 13.0 t -126.55 121.58 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 0.905 ' HB ' HG23 ' A' ' 502' ' ' THR . 92.6 m -111.34 131.73 54.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.76 122.81 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.65 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.5 m-30 -113.88 115.41 27.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.632 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 1.4 t80 -107.51 139.62 41.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.54 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.7 OUTLIER -63.33 140.41 58.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.4 ttmm -77.99 113.2 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.81 11.66 6.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.573 1.17 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.563 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 1.1 m-85 -143.05 -65.81 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 0.771 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.563 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 5.1 p30 151.06 -41.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.47 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 90.4 p -149.13 61.47 5.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.956 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.05 147.51 33.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.445 1.761 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.533 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 38.2 m-85 -98.17 151.92 19.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.804 HD13 ' C ' ' A' ' 439' ' ' ILE . 0.0 OUTLIER -131.03 119.24 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.839 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 49.8 t60 -93.48 117.18 29.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.563 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 1.01 ' CE1' HG11 ' A' ' 469' ' ' VAL . 6.3 p90 -131.92 152.46 51.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.655 ' C ' HD12 ' A' ' 477' ' ' LEU . 2.5 ttp180 -150.27 127.07 5.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 132.74 15.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -55.0 98.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 117.62 -3.63 17.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -108.38 -145.78 11.76 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 448' ' ' TRP . 12.4 t -124.28 -179.01 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 110.002 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.839 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 69.4 m95 -91.48 169.99 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . 0.671 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.7 OUTLIER -91.11 177.05 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.489 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -73.71 94.2 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.604 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -54.01 132.14 58.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.638 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.03 121.26 7.25 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.004 0.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.638 ' C ' ' O ' ' A' ' 452' ' ' PRO . . . 10.42 -126.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.44 1.088 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 439' ' ' ILE . 9.8 p -133.97 135.09 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . 0.463 ' HE3' ' CB ' ' A' ' 436' ' ' SER . 13.1 tttt -57.75 105.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 1.002 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -49.33 129.64 18.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -55.12 174.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.84 135.53 34.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.817 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -111.73 112.36 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.549 ' O ' ' C ' ' A' ' 461' ' ' ILE . 11.6 pt-20 -65.31 -20.38 66.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 462' ' ' SER . 0.9 OUTLIER -28.11 -46.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.0 OUTLIER 154.45 58.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 79.96 52.31 4.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.792 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.1 m-85 -130.05 -174.73 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 1.002 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -127.12 150.35 49.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.817 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 48.7 mtpt -130.47 147.13 52.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 0.996 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.2 tp -150.98 130.12 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . 0.602 HG23 ' OG1' ' A' ' 427' ' ' THR . 1.7 m -126.52 122.5 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 1.01 HG11 ' CE1' ' A' ' 441' ' ' TYR . 3.5 t -132.69 134.65 58.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -84.23 145.21 28.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.918 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 38.6 pt -123.86 -37.62 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.476 ' HA2' ' N ' ' A' ' 424' ' ' ASN . . . 36.17 -93.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -52.32 -14.45 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 0.918 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -106.3 127.31 53.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.75 -10.47 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 5.2 mt-30 -154.17 162.56 41.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.655 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -138.85 127.59 23.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 13.7 tt0 -103.65 126.95 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.756 ' HB1' HD11 ' A' ' 439' ' ' ILE . . . -147.22 163.18 37.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . 0.695 ' HB2' ' CG ' ' A' ' 495' ' ' ASN . . . -134.77 169.33 17.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.632 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.0 OUTLIER -107.88 143.9 35.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.521 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.7 OUTLIER -160.03 135.93 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.485 ' HB3' ' CE1' ' A' ' 434' ' ' PHE . 11.6 p-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . 0.695 ' CG ' ' HB2' ' A' ' 480' ' ' ALA . 2.5 m-20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 0.819 ' CD1' HD11 ' A' ' 516' ' ' ILE . 83.3 m-85 -96.1 151.5 19.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 12.0 t -107.75 135.65 48.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -128.08 147.84 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.518 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -108.73 148.76 29.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.765 HG22 HD11 ' A' ' 471' ' ' ILE . 48.3 p -28.97 142.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 119.74 -146.75 18.07 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.905 HG23 ' HB ' ' A' ' 427' ' ' THR . 4.3 m -128.77 136.24 50.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.786 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.11 148.24 51.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.438 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 4.9 m -107.62 138.67 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 481' ' ' PHE . 29.1 t80 -122.5 122.31 38.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.785 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.3 m -128.3 147.25 62.91 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 110.422 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . 0.785 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.89 137.99 31.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 0.735 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 0.819 HD11 ' CD1' ' A' ' 496' ' ' TYR . 6.1 mt -123.62 138.3 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . 0.438 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.0 OUTLIER -130.0 162.07 29.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.375 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 58.1 m -105.07 92.38 4.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.27 129.28 3.13 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.505 ' CB ' ' CD2' ' A' ' 429' ' ' TYR . . . -59.94 153.37 55.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . 0.407 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.62 ' HB3' HG22 ' A' ' 500' ' ' THR . 12.4 m-80 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.557 ' HG2' HG22 ' A' ' 468' ' ' THR . 2.1 tttt -129.02 154.29 46.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.426 HG21 HG21 ' A' ' 471' ' ' ILE . 4.8 t -130.7 125.55 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 0.773 ' HB ' HG23 ' A' ' 502' ' ' THR . 40.9 m -108.24 136.57 47.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -132.72 122.06 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.704 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.1 m-30 -114.51 110.58 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.602 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 16.4 t80 -106.59 140.24 39.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.536 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 13.0 tmtt? -62.83 141.66 58.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.7 ttmt -74.29 116.39 14.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.59 8.52 6.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.57 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 1.4 m-85 -143.4 -66.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 5.3 p30 150.89 -30.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.488 ' O ' ' CG ' ' A' ' 455' ' ' LYS . 94.1 p -163.99 59.98 0.81 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.485 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -74.97 150.89 38.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.618 ' CD2' ' HB2' ' A' ' 452' ' ' PRO . 49.6 m-85 -94.52 151.66 19.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.802 HD13 ' N ' ' A' ' 440' ' ' HIS . 0.0 OUTLIER -133.25 124.72 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.802 ' N ' HD13 ' A' ' 439' ' ' ILE . 5.0 t60 -94.92 120.68 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.999 ' CD1' HG11 ' A' ' 469' ' ' VAL . 5.3 p90 -122.78 152.66 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.537 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.2 ttt180 -155.84 123.71 2.84 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 134.6 18.08 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.33 102.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 109.46 1.73 31.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -106.43 -146.34 13.54 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.78 155.07 49.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 109.99 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.673 ' HB3' ' HE2' ' A' ' 440' ' ' HIS . 38.7 m95 -70.24 156.31 39.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 107.994 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . 0.778 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 2.5 p -76.58 -173.5 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.544 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -89.33 94.27 9.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.423 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -52.61 126.81 40.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.634 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.2 Cg_endo -75.01 144.06 79.76 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.018 -0.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.634 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -43.76 -113.21 0.0 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 439' ' ' ILE . 9.7 p -130.57 143.4 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 436' ' ' SER . 0.0 OUTLIER -71.75 110.41 6.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 0.954 ' HA ' HD13 ' A' ' 467' ' ' ILE . 22.9 mtm -44.78 118.73 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 466' ' ' LYS . 1.9 mt-30 -49.23 175.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.87 133.99 34.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.841 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -112.7 105.31 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.51 ' O ' ' C ' ' A' ' 461' ' ' ILE . 12.9 pt-20 -59.76 -14.74 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.56 ' O ' ' CB ' ' A' ' 462' ' ' SER . 3.8 mm -30.61 -47.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 154.46 44.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.51 46.48 2.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.82 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.3 m-85 -125.95 -179.75 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.861 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.68 144.79 50.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.841 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 50.4 mtpt -124.08 146.31 48.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 0.954 HD13 ' HA ' ' A' ' 456' ' ' MET . 2.7 tp -150.88 133.32 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . 0.611 HG23 ' OG1' ' A' ' 427' ' ' THR . 1.4 m -125.42 124.62 41.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.999 HG11 ' CD1' ' A' ' 441' ' ' TYR . 4.0 t -131.2 135.64 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 425' ' ' LYS . 4.2 t70 -85.03 147.1 26.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.867 HD11 ' CG2' ' A' ' 500' ' ' THR . 27.8 pt -123.71 -1.16 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.646 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -12.96 111.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.646 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 3.4 t 99.3 -10.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 0.708 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -119.62 140.06 51.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 476' ' ' GLN . 0.1 OUTLIER -89.61 -12.5 39.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 475' ' ' SER . 26.2 mt-30 -150.43 161.87 41.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -141.31 136.57 31.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.573 ' O ' ' CH2' ' A' ' 448' ' ' TRP . 1.0 OUTLIER -102.17 127.5 49.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.793 ' HB1' HD11 ' A' ' 439' ' ' ILE . . . -142.16 164.84 29.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 439' ' ' ILE . . . -139.16 165.68 26.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.602 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.6 t80 -109.72 143.7 39.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.501 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 2.8 p30 -162.95 136.46 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.557 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 25.5 p-10 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . 0.555 ' HB3' ' CG ' ' A' ' 478' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 0.888 ' CE1' HD11 ' A' ' 516' ' ' ILE . 54.7 m-85 -93.21 157.21 16.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . 0.473 ' CB ' ' OE2' ' A' ' 478' ' ' GLU . 0.0 OUTLIER -130.14 133.94 46.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . 0.463 ' HE1' ' HB3' ' A' ' 479' ' ' ALA . 0.4 OUTLIER -132.99 138.24 46.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.527 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -96.24 151.82 19.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.867 ' CG2' HD11 ' A' ' 471' ' ' ILE . 32.6 p -27.65 138.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 124.89 -145.63 15.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.773 HG23 ' HB ' ' A' ' 427' ' ' THR . 7.6 m -129.68 139.43 51.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 110.373 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.77 148.39 50.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 516' ' ' ILE . 4.2 m -114.72 138.3 50.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -121.38 123.26 41.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.812 HG23 ' HD2' ' A' ' 507' ' ' PRO . 1.8 m -127.08 147.67 62.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . 0.812 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.549 1.815 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.09 137.93 32.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 0.888 HD11 ' CE1' ' A' ' 496' ' ' TYR . 1.0 OUTLIER -123.37 138.08 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.48 161.95 26.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.414 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 17.6 p -105.74 91.81 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 133.03 132.99 3.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.133 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.18 156.61 27.01 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.773 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.534 ' CG ' HG21 ' A' ' 500' ' ' THR . 3.5 m-80 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -129.97 148.98 51.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.487 ' CG2' HD13 ' A' ' 471' ' ' ILE . 5.8 t -134.43 119.96 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 0.931 ' HB ' HG23 ' A' ' 502' ' ' THR . 0.2 OUTLIER -106.47 137.09 45.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . 0.498 ' HB ' ' CG2' ' A' ' 467' ' ' ILE . 2.8 mt -129.56 125.73 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.627 ' CE2' ' HD2' ' A' ' 466' ' ' LYS . 5.6 m-85 -114.64 109.41 18.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.619 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 10.9 t80 -107.67 138.35 44.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 140.68 58.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.5 ttmm -73.97 110.6 8.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -117.2 -15.12 6.72 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 483' ' ' ASP . 0.2 OUTLIER -120.44 -67.12 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.973 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.8 p30 151.79 -33.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.497 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 60.7 p -157.24 59.93 1.91 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.01 160.6 39.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.809 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 20.4 m-85 -107.25 146.42 31.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 480' ' ' ALA . 1.5 tp -130.0 119.21 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 480' ' ' ALA . 1.9 t-160 -92.21 116.83 29.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.553 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.942 ' CG ' HG21 ' A' ' 469' ' ' VAL . 11.7 p90 -121.94 139.26 53.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.734 ' C ' HD12 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -138.16 123.56 12.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 133.27 16.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -55.32 100.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 111.54 2.01 27.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -115.2 -157.76 11.6 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 3.7 m -110.87 168.45 9.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.028 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.562 ' CD2' ' HB2' ' A' ' 442' ' ' ARG . 52.3 m95 -89.91 154.2 20.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 108.031 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . 0.472 ' O ' ' NE2' ' A' ' 440' ' ' HIS . 0.6 OUTLIER -68.27 -176.96 0.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.32 104.94 16.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.641 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -56.82 139.06 77.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.635 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.2 Cg_endo -74.98 120.74 6.85 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 120.994 -2.502 . . . . 0.0 111.003 -0.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.641 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 13.94 -127.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.878 ' CG1' HD11 ' A' ' 467' ' ' ILE . 0.3 OUTLIER -133.62 141.5 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . 0.456 ' O ' ' NE2' ' A' ' 457' ' ' GLN . 15.1 ttmt -60.32 115.41 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 0.889 ' HA ' HD13 ' A' ' 467' ' ' ILE . 5.9 mtt -66.51 121.67 15.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 455' ' ' LYS . 50.1 mm-40 -53.63 175.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.06 132.12 41.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.725 ' HB3' ' CB ' ' A' ' 464' ' ' TYR . . . -105.11 106.82 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 461' ' ' ILE . 15.9 pt-20 -56.08 -16.71 5.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.654 HD12 ' HB1' ' A' ' 459' ' ' ALA . 1.4 mt -32.32 -45.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 157.24 56.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 78.56 52.33 5.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.725 ' CB ' ' HB3' ' A' ' 459' ' ' ALA . 1.6 m-85 -122.64 -172.97 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.884 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -128.48 142.75 50.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.627 ' HD2' ' CE2' ' A' ' 429' ' ' TYR . 0.6 OUTLIER -125.01 143.9 50.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.335 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 0.889 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.4 tp -153.4 128.1 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . 0.52 HG23 HG23 ' A' ' 427' ' ' THR . 2.6 m -119.84 119.12 32.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.942 HG21 ' CG ' ' A' ' 441' ' ' TYR . 71.5 t -124.25 128.68 73.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -85.91 146.49 26.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 1.075 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 12.4 pt -118.23 -9.69 11.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 63.32 -89.03 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.56 -19.69 13.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.006 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 1.075 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -49.1 121.02 4.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.34 -13.51 61.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -154.92 162.93 40.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.734 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.1 OUTLIER -143.53 144.65 32.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 1.4 mt-10 -96.16 148.42 22.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 1.051 ' HB3' ' CE1' ' A' ' 498' ' ' PHE . . . -136.43 156.89 47.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . 0.583 ' O ' HD12 ' A' ' 439' ' ' ILE . . . -146.78 153.58 40.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.619 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 8.6 t80 -111.97 147.97 34.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.459 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.1 OUTLIER -155.4 153.04 29.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 0.0 109.261 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 434' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 0.587 ' CD1' HD11 ' A' ' 516' ' ' ILE . 4.7 m-85 -90.7 162.52 14.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . 0.403 ' C ' ' CD1' ' A' ' 498' ' ' PHE . 10.0 t -126.92 139.51 53.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.978 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . 1.051 ' CE1' ' HB3' ' A' ' 479' ' ' ALA . 5.7 m-85 -137.72 156.74 47.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.505 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -115.92 152.18 33.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.99 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.99 HG22 HD11 ' A' ' 471' ' ' ILE . 23.0 p -30.38 143.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 118.4 -148.44 18.48 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.959 HG21 ' HB2' ' A' ' 520' ' ' ALA . 35.4 m -125.43 139.81 53.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 0.777 . . . . 0.0 110.388 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.6 p -133.53 146.27 50.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.447 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 1.4 m -107.8 139.73 41.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.391 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 481' ' ' PHE . 27.6 t80 -123.14 127.88 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.682 HG23 ' HD2' ' A' ' 507' ' ' PRO . 3.7 m -136.61 145.72 52.49 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.368 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.12 137.86 32.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 110.439 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 0.587 HD11 ' CD1' ' A' ' 496' ' ' TYR . 5.8 mt -123.97 139.05 51.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . 0.447 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.6 OUTLIER -127.7 162.61 26.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 3.2 m -105.93 93.16 4.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 138.34 129.89 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.959 ' HB2' HG21 ' A' ' 502' ' ' THR . . . -60.22 156.73 37.66 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . 0.491 ' HD2' ' CD2' ' A' ' 429' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.183 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.577 ' HB3' HG22 ' A' ' 500' ' ' THR . 25.5 m120 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.577 ' HE2' HG22 ' A' ' 468' ' ' THR . 0.0 OUTLIER -128.75 145.5 51.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 500' ' ' THR . 12.9 t -127.77 127.73 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 0.886 ' HB ' HG23 ' A' ' 502' ' ' THR . 38.0 m -114.74 134.42 55.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.415 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -133.0 123.09 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.718 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 18.2 m-30 -115.15 112.38 22.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.567 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 10.9 t80 -106.53 139.67 40.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.577 ' HD2' ' CE1' ' A' ' 464' ' ' TYR . 2.2 tttm -64.08 140.56 58.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 5.3 ttmt -73.84 109.76 7.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -125.63 13.22 7.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.6 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 7.5 m-85 -147.17 -61.57 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 6.3 p30 148.39 -55.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.495 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 5.8 m -138.67 60.21 18.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.02 147.89 34.46 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.451 ' O ' ' ND2' ' A' ' 482' ' ' ASN . 48.8 m-85 -98.79 154.02 18.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.855 HD11 ' HB1' ' A' ' 479' ' ' ALA . 0.0 OUTLIER -132.02 120.39 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.768 ' N ' HD13 ' A' ' 439' ' ' ILE . 1.6 t60 -91.27 117.32 29.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 0.858 ' CD1' HG11 ' A' ' 469' ' ' VAL . 12.1 p90 -126.17 152.92 45.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.748 ' C ' HD12 ' A' ' 477' ' ' LEU . 2.4 ttt180 -153.82 124.76 3.53 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 134.09 17.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.802 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . 0.588 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -53.33 102.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 105.92 5.42 38.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -109.2 -149.22 13.12 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.81 160.43 29.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.571 ' HB3' ' CE1' ' A' ' 440' ' ' HIS . 55.6 m95 -74.55 157.49 35.39 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . 0.639 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -79.17 -172.9 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.418 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -83.81 95.29 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.663 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -56.09 138.25 73.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.609 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.99 119.04 5.69 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.025 0.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.663 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.62 -131.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 5.3 p -131.35 134.35 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -58.1 106.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 0.933 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 17.4 mtt -49.77 126.28 13.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -54.82 173.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.57 131.75 34.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.813 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -109.36 103.41 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 461' ' ' ILE . 14.9 pt-20 -58.41 -15.54 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.568 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -29.33 -47.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.9 OUTLIER 153.95 44.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.96 48.07 2.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.813 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.7 m-85 -128.64 179.27 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.933 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.17 145.78 49.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.803 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 50.9 mtpt -126.15 145.88 50.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 0.929 HD13 ' HA ' ' A' ' 456' ' ' MET . 2.4 tp -151.46 129.48 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . 0.577 HG22 ' HE2' ' A' ' 425' ' ' LYS . 2.4 m -122.4 124.17 43.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.858 HG11 ' CD1' ' A' ' 441' ' ' TYR . 27.0 t -128.3 132.98 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . 0.408 ' CA ' ' HE3' ' A' ' 425' ' ' LYS . 8.2 t70 -84.23 145.51 28.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.845 HD11 ' CG2' ' A' ' 500' ' ' THR . 13.7 pt -131.15 28.13 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.644 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -52.0 78.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.5 m 147.38 -12.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 0.588 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -123.04 138.29 54.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.82 -6.81 59.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -153.54 162.23 41.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.748 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.8 OUTLIER -137.75 128.4 26.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.567 ' OE2' ' N ' ' A' ' 479' ' ' ALA . 4.5 tp10 -102.32 129.3 48.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.855 ' HB1' HD11 ' A' ' 439' ' ' ILE . . . -147.65 164.18 34.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -137.43 169.65 17.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.567 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.5 t80 -109.0 143.25 38.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.471 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 2.7 p30 -162.04 136.28 6.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 434' ' ' PHE . 28.8 p-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . 0.512 ' HB2' ' CD ' ' A' ' 478' ' ' GLU . 47.3 p-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 0.812 ' CE1' HD11 ' A' ' 516' ' ' ILE . 33.0 m-85 -107.66 145.39 33.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 3.9 t -118.72 145.39 45.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -142.48 139.22 31.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -96.42 151.34 19.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.992 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.845 ' CG2' HD11 ' A' ' 471' ' ' ILE . 34.5 p -26.83 138.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.25 -147.74 16.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.886 HG23 ' HB ' ' A' ' 427' ' ' THR . 6.7 m -130.43 137.94 50.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.386 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.8 p -134.15 148.03 50.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 516' ' ' ILE . 3.3 m -110.09 139.12 45.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -122.1 127.08 49.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.78 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.4 m -133.11 147.34 64.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.415 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . 0.78 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.79 139.21 31.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 110.415 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 0.812 HD11 ' CE1' ' A' ' 496' ' ' TYR . 2.3 mt -123.67 138.87 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.39 162.29 27.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 2.7 m -106.28 92.81 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 127.75 133.35 3.73 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.434 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.06 156.35 27.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.432 1.754 . . . . 0.0 110.965 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' ASN . . . . . 0.596 ' HB3' HG22 ' A' ' 500' ' ' THR . 35.4 m120 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.425 ' HD2' HG22 ' A' ' 468' ' ' THR . 2.4 tppt? -129.22 144.31 51.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . 0.529 ' CG2' HD13 ' A' ' 471' ' ' ILE . 9.2 t -126.18 125.67 68.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' THR . . . . . 0.926 ' HB ' HG23 ' A' ' 502' ' ' THR . 60.3 m -113.76 136.76 52.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 428' ' ' ILE . . . . . 0.541 HG21 HD11 ' A' ' 439' ' ' ILE . 1.2 mp -132.77 122.78 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 429' ' ' TYR . . . . . 0.737 ' CE1' HG22 ' A' ' 427' ' ' THR . 16.4 m-30 -114.1 110.82 20.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 430' ' ' TYR . . . . . 0.5 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.0 t80 -106.65 139.76 40.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.51 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.3 OUTLIER -64.47 142.05 58.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 432' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 4.2 ttmt -77.79 108.09 10.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -122.47 8.17 9.58 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' PHE . . . . . 0.596 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 13.9 m-85 -140.13 -61.92 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.783 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' ASN . . . . . 0.596 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 10.5 m-20 148.39 -60.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.358 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' SER . . . . . 0.458 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 86.0 p -132.82 61.85 58.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.97 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.05 156.78 42.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.549 1.815 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.446 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 19.9 m-85 -105.42 150.6 25.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.993 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.716 HD13 HG21 ' A' ' 467' ' ' ILE . 2.2 tt -133.27 123.09 46.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' HIS . . . . . 0.64 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 0.7 OUTLIER -95.39 126.68 40.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.602 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' TYR . . . . . 1.004 ' CD1' HG11 ' A' ' 469' ' ' VAL . 9.5 p90 -127.22 152.06 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.505 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 0.3 OUTLIER -156.37 125.11 2.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.4 Cg_endo -74.99 133.81 17.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.561 1.822 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -50.54 108.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 105.62 0.44 39.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.098 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -105.89 -137.83 8.98 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.3 154.8 40.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 109.984 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' TRP . . . . . 0.505 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 98.4 m95 -67.77 157.86 33.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 107.984 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' THR . . . . . 0.818 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 2.1 p -81.84 -177.21 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -74.1 96.27 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' ALA . . . . . 0.64 ' HB2' ' HE1' ' A' ' 440' ' ' HIS . . . -54.1 126.03 51.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.607 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.02 135.71 41.8 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.982 -2.508 . . . . 0.0 110.994 0.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -34.93 -103.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.983 HG11 HD11 ' A' ' 467' ' ' ILE . 2.6 p -131.56 147.7 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.787 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -75.26 120.21 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' MET . . . . . 0.924 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.2 OUTLIER -51.5 121.28 6.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 466' ' ' LYS . 1.0 OUTLIER -55.2 174.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.74 135.65 33.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' ALA . . . . . 0.81 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -115.54 102.37 9.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.55 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.0 pt-20 -58.19 -15.39 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' ILE . . . . . 0.562 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.5 mm -28.77 -47.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.5 m 154.92 44.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.54 47.39 2.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.81 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 4.2 m-85 -128.19 178.88 5.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.924 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -123.11 147.15 47.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.806 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 51.4 mtpt -128.79 144.34 51.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 467' ' ' ILE . . . . . 0.983 HD11 HG11 ' A' ' 454' ' ' VAL . 0.1 OUTLIER -151.76 128.99 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 468' ' ' THR . . . . . 0.752 HG23 ' OG1' ' A' ' 427' ' ' THR . 2.5 m -125.03 128.19 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 1.004 HG11 ' CD1' ' A' ' 441' ' ' TYR . 2.2 t -133.33 135.59 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -84.57 146.12 27.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.933 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 14.8 pt -119.31 -9.3 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.667 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . -3.03 108.18 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 473' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 4.7 t 100.8 -11.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 474' ' ' ALA . . . . . 0.933 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -113.87 136.16 53.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.74 -10.54 53.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -154.7 161.24 41.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.859 HD23 ' C ' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -142.62 142.68 32.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 478' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 0.1 OUTLIER -99.04 132.63 44.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 479' ' ' ALA . . . . . 0.67 ' HB3' ' HE2' ' A' ' 498' ' ' PHE . . . -123.65 161.21 25.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -147.31 156.73 43.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 481' ' ' PHE . . . . . 0.5 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 9.3 t80 -110.34 149.08 30.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 482' ' ' ASN . . . . . 0.453 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.0 OUTLIER -157.63 157.84 34.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.5 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 495' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 496' ' ' TYR . . . . . 0.831 ' CE1' HD11 ' A' ' 516' ' ' ILE . 23.6 m-85 -95.33 155.6 16.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 0.0 OUTLIER -129.07 133.23 47.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.031 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 498' ' ' PHE . . . . . 0.94 ' CE1' HG21 ' A' ' 516' ' ' ILE . 10.5 m-85 -135.89 151.86 50.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 499' ' ' SER . . . . . 0.542 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.1 OUTLIER -104.92 150.91 24.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 500' ' ' THR . . . . . 0.829 HG22 HD11 ' A' ' 471' ' ' ILE . 39.8 p -26.87 138.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.6 -147.62 16.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.926 HG23 ' HB ' ' A' ' 427' ' ' THR . 5.3 m -127.9 138.78 52.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 110.429 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.32 148.38 52.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.99 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 504' ' ' THR . . . . . 0.427 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 2.8 m -110.92 138.43 47.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.386 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 505' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 481' ' ' PHE . 28.8 t80 -120.75 126.96 51.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.72 HG23 ' HD2' ' A' ' 507' ' ' PRO . 3.7 m -133.47 146.41 60.51 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.418 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 507' ' ' PRO . . . . . 0.72 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.543 1.812 . . . . 0.0 111.051 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.02 138.29 31.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 516' ' ' ILE . . . . . 0.94 HG21 ' CE1' ' A' ' 498' ' ' PHE . 2.9 mt -124.06 138.8 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 517' ' ' THR . . . . . 0.427 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.3 OUTLIER -128.72 162.3 27.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 56.8 p -105.98 93.0 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.49 131.11 3.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 520' ' ' ALA . . . . . 0.51 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -58.89 155.99 28.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.938 -179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -175.27 -179.83 46.06 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 8.1 m -60.83 -36.35 78.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 110.454 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 72.34 81.65 0.33 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.514 ' CG ' HG21 ' A' ' 500' ' ' THR . 5.4 m-80 -110.35 162.27 14.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 0.735 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.42 147.38 51.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.866 HG22 ' HA ' ' A' ' 500' ' ' THR . 27.8 t -131.47 122.57 50.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 0.918 ' HB ' HG23 ' A' ' 502' ' ' THR . 32.2 m -108.86 135.42 50.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.372 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . 0.473 HG22 ' CE ' ' A' ' 456' ' ' MET . 1.5 mt -131.93 123.46 51.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.708 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.3 m-30 -113.58 111.75 22.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.602 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 3.2 t80 -106.21 138.98 41.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.943 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -64.74 140.26 58.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 1.6 ttmm -77.83 104.22 8.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -114.96 -3.96 21.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.571 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 0.8 OUTLIER -128.95 -63.03 0.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 0.745 . . . . 0.0 111.015 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.571 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.8 p30 150.57 -48.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.464 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 11.1 p -140.47 61.39 16.2 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 110.033 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.2 Cg_endo -74.98 148.3 35.21 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.489 1.784 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.58 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 11.7 m-30 -100.55 151.01 22.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.579 HG21 ' HG2' ' A' ' 456' ' ' MET . 0.0 OUTLIER -131.49 119.28 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.812 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 1.6 t-160 -96.42 119.69 35.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.583 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.865 ' CD1' HG11 ' A' ' 469' ' ' VAL . 7.6 p90 -123.78 150.99 43.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.651 ' C ' HD12 ' A' ' 477' ' ' LEU . 2.7 ttt180 -147.1 122.9 5.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.1 Cg_endo -75.0 132.81 15.83 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . 0.505 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -51.76 105.06 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 102.52 7.77 44.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -114.07 -154.88 11.24 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.06 157.21 30.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 109.996 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.523 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 43.5 m95 -70.04 160.5 31.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 108.035 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . 0.427 ' N ' ' HE2' ' A' ' 440' ' ' HIS . 0.2 OUTLIER -78.05 -179.92 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.373 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -74.04 94.16 2.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.812 ' HB2' ' HE1' ' A' ' 440' ' ' HIS . . . -55.46 139.5 67.0 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.0 119.98 6.34 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.018 0.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.655 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 18.33 -135.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.59 HG11 ' HE2' ' A' ' 441' ' ' TYR . 9.9 p -133.62 141.56 43.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 109.343 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.48 121.2 12.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 0.981 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -67.91 128.64 37.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.3 174.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.25 135.8 33.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.846 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -112.81 103.48 11.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.541 ' O ' ' C ' ' A' ' 461' ' ' ILE . 26.3 pt-20 -58.66 -15.51 12.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.549 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -29.12 -48.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.2 m 155.65 45.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.74 46.27 2.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.138 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.838 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.8 m-85 -127.42 -178.36 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.981 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -125.43 150.61 47.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.846 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 48.7 mtpt -128.98 148.3 50.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 0.906 HD13 ' HA ' ' A' ' 456' ' ' MET . 5.0 tp -150.27 132.15 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . 0.508 HG23 ' OG1' ' A' ' 427' ' ' THR . 1.4 m -124.5 120.94 33.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.865 HG11 ' CD1' ' A' ' 441' ' ' TYR . 15.8 t -129.53 134.55 63.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -89.15 144.74 25.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.884 HD11 ' CG2' ' A' ' 500' ' ' THR . 10.4 pt -129.38 25.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.646 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -49.5 80.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.646 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.2 m 147.3 -14.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -122.17 136.82 54.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.25 -8.33 58.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -154.6 161.95 41.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.325 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.651 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -141.95 142.65 33.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 20.6 mt-10 -97.69 148.87 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.664 ' HB3' ' HE2' ' A' ' 498' ' ' PHE . . . -134.67 158.58 43.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . 0.505 ' O ' HG12 ' A' ' 439' ' ' ILE . . . -146.36 146.74 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.602 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 4.1 t80 -108.38 142.09 39.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.442 ' OD1' ' CE3' ' A' ' 488' ' ' TRP . 0.5 OUTLIER -161.15 135.3 6.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.521 ' HB3' ' CE1' ' A' ' 434' ' ' PHE . 9.6 p-10 -71.31 -10.23 59.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.489 ' HA3' ' CE2' ' A' ' 438' ' ' TYR . . . 86.7 -16.23 47.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.71 -81.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 0.769 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -159.51 19.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . 0.427 ' O ' ' OD1' ' A' ' 483' ' ' ASP . 42.3 m-80 -123.13 119.8 31.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . 0.442 ' CE3' ' OD1' ' A' ' 482' ' ' ASN . 7.4 m0 -114.13 175.68 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 108.004 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -162.62 99.38 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.667 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.5 OUTLIER -133.37 119.1 19.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.557 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 0.2 OUTLIER 28.75 42.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.557 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 4.4 t-20 85.96 -45.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.667 ' N ' ' O ' ' A' ' 490' ' ' SER . 5.4 t -179.12 45.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.378 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 495' ' ' ASN . 8.6 mttt -148.18 -75.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 0.455 ' HB3' ' O ' ' A' ' 494' ' ' LYS . 8.1 p-10 160.75 140.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 0.816 ' CD1' HD11 ' A' ' 516' ' ' ILE . 48.5 m-85 -82.42 158.74 23.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . 0.537 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 12.0 t -130.67 134.99 47.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . 1.042 ' CE1' HG21 ' A' ' 516' ' ' ILE . 13.9 m-85 -141.51 152.84 44.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.502 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -102.54 149.17 24.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.979 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.884 ' CG2' HD11 ' A' ' 471' ' ' ILE . 35.1 p -30.57 145.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.404 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 127.51 -144.05 14.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.918 HG23 ' HB ' ' A' ' 427' ' ' THR . 1.3 m -129.39 134.21 47.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 110.411 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 428' ' ' ILE . 0.1 OUTLIER -133.96 149.28 51.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.021 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.447 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 3.2 m -113.23 138.79 49.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.39 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 481' ' ' PHE . 34.3 t80 -118.57 123.06 44.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.776 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.2 m -127.82 146.82 60.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . 0.776 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo -74.95 146.24 32.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.545 1.813 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.478 ' O ' ' N ' ' A' ' 510' ' ' SER . . . -65.56 79.27 0.09 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . 0.576 ' O ' ' CB ' ' A' ' 510' ' ' SER . 3.0 m120 -66.92 69.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 0.744 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 509' ' ' ASN . 1.7 m 153.63 -96.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.031 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -133.62 26.83 3.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.12 . . . . 0.0 110.966 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . 0.435 ' HB2' ' HA2' ' A' ' 508' ' ' GLY . 5.1 m-20 -93.58 161.08 14.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.769 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -121.69 76.17 1.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 63.64 103.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.66 139.23 31.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 110.399 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 1.042 HG21 ' CE1' ' A' ' 498' ' ' PHE . 3.9 mt -122.71 138.04 54.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . 0.447 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.2 OUTLIER -127.14 161.71 27.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.387 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 12.5 m -106.53 91.56 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 126.85 134.02 3.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.492 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -58.53 156.0 25.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . 0.4 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.4 Cg_endo -75.0 149.63 36.99 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -108.67 53.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 110.941 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 121.64 -74.14 0.35 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 3.1 m -69.86 115.93 9.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.389 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -159.37 -129.02 1.02 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.102 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.522 ' HB3' HG22 ' A' ' 500' ' ' THR . 8.1 m-80 -87.63 161.1 17.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -129.03 154.06 47.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.256 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.482 HG21 HD13 ' A' ' 471' ' ' ILE . 13.4 t -132.87 124.14 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 0.912 ' HB ' HG23 ' A' ' 502' ' ' THR . 41.0 m -107.77 136.2 47.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . 0.603 HG21 HD11 ' A' ' 439' ' ' ILE . 1.4 mt -132.69 121.79 45.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.719 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 17.2 m-30 -115.25 110.44 19.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 111.057 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.601 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 19.2 t80 -105.81 138.77 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.598 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.4 OUTLIER -64.53 140.73 58.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.8 ttmm -74.6 110.11 8.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -126.4 12.56 7.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.644 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 10.6 m-85 -147.18 -57.42 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 111.047 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.644 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.3 t-20 143.81 -58.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.496 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -133.77 60.09 43.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.496 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.2 Cg_endo -74.99 151.23 39.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.577 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 21.7 m-85 -102.29 152.81 20.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.603 HD11 HG21 ' A' ' 428' ' ' ILE . 4.7 tt -132.09 120.21 43.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.559 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 1.5 t60 -92.44 118.48 31.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.591 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.784 ' CD2' HG21 ' A' ' 469' ' ' VAL . 6.0 p90 -128.22 152.67 47.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.523 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.9 ttt180 -151.77 124.04 3.97 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.4 Cg_endo -75.04 134.84 18.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.459 1.768 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . 0.662 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -53.29 104.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 101.07 9.68 44.56 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -111.95 -152.39 11.92 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -123.58 153.75 40.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.523 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 39.1 m95 -68.72 158.73 33.62 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . 0.642 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -80.05 -174.99 4.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.391 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -82.46 95.21 7.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.652 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.77 138.45 70.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.617 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.2 Cg_endo -75.03 119.66 6.12 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.011 -2.496 . . . . 0.0 110.964 0.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.652 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.94 -131.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.401 HG13 HD11 ' A' ' 467' ' ' ILE . 3.2 p -132.62 141.25 45.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.08 113.83 3.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 0.83 ' HA ' HD13 ' A' ' 467' ' ' ILE . 0.0 OUTLIER -56.15 120.8 8.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 466' ' ' LYS . 1.2 mt-30 -50.8 175.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.37 133.47 34.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.85 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -114.35 103.08 10.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.53 ' O ' ' C ' ' A' ' 461' ' ' ILE . 26.3 pt-20 -59.33 -14.91 13.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.553 ' O ' ' CB ' ' A' ' 462' ' ' SER . 3.7 mm -29.46 -47.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.3 m 154.79 43.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.14 47.99 2.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.85 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 4.3 m-85 -129.27 178.39 6.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.828 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -123.18 145.02 48.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.793 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 48.8 mtpt -124.54 146.37 49.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 0.83 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.8 tp -151.2 129.68 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.3 m -118.42 121.51 40.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.784 HG21 ' CD2' ' A' ' 441' ' ' TYR . 82.7 t -124.65 130.34 73.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.02 144.9 28.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.912 HD11 ' CG2' ' A' ' 500' ' ' THR . 17.3 pt -129.59 26.89 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.63 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -49.64 80.84 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.63 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.3 m 148.31 -17.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.016 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 0.662 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -127.86 141.57 51.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 4.8 m -90.16 3.82 52.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -155.81 149.44 25.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.532 HD11 ' HB2' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -135.27 135.32 40.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.472 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 1.9 tt0 -106.29 128.68 54.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.57 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -147.25 162.99 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -136.52 168.71 18.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.601 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.4 t80 -108.98 144.53 36.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.509 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 1.8 p30 -161.72 136.58 7.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 434' ' ' PHE . 27.1 p-10 -66.07 -11.75 50.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.577 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 89.19 -14.34 61.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.7 -83.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -153.94 16.45 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -118.71 117.73 29.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -115.93 175.15 5.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 108.045 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 481' ' ' PHE . 1.4 t0 -156.23 111.22 2.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.513 ' O ' ' N ' ' A' ' 492' ' ' ASN . 1.5 p -132.2 175.59 9.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.97 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 54.2 t30 -38.13 -28.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.6 m-20 160.05 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 1.9 t 178.05 28.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 2.6 mttm -145.86 -70.59 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 0.538 ' CB ' ' O ' ' A' ' 494' ' ' LYS . 3.7 p30 153.37 172.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 0.827 ' CE1' HD11 ' A' ' 516' ' ' ILE . 63.6 m-85 -97.78 158.3 15.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.2 t -125.81 139.15 53.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.985 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . 0.568 ' HE1' ' HB3' ' A' ' 479' ' ' ALA . 0.3 OUTLIER -138.28 136.29 36.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.547 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -92.57 148.95 21.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.912 ' CG2' HD11 ' A' ' 471' ' ' ILE . 22.6 p -26.35 137.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 128.34 -145.69 16.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.912 HG23 ' HB ' ' A' ' 427' ' ' THR . 7.4 m -129.09 137.9 51.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.426 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 3.6 p -133.26 148.91 51.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.436 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 14.0 m -112.4 138.06 49.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.382 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . 0.437 ' HH ' ' HE2' ' A' ' 496' ' ' TYR . 2.8 t80 -119.46 122.95 42.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.808 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.0 m -130.12 147.71 66.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . 0.808 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo -75.03 144.26 29.92 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -99.52 -139.73 11.01 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 1.5 m120 152.17 154.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.1 -86.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -112.56 -13.65 11.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -94.21 161.52 14.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -165.97 100.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.244 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 63.86 96.59 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.73 139.55 37.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 0.827 HD11 ' CE1' ' A' ' 496' ' ' TYR . 1.0 OUTLIER -122.77 138.43 52.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . 0.436 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.5 OUTLIER -128.14 161.99 27.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.375 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 23.7 m -104.67 93.08 4.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 127.66 131.14 3.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.412 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.68 156.09 35.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . 0.406 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.2 Cg_endo -74.99 149.91 37.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -112.01 56.52 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 111.028 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -120.78 179.88 16.3 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 9.7 t -109.9 -28.16 8.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 0.768 . . . . 0.0 110.399 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 115.15 107.86 2.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.716 ' OD1' HG21 ' A' ' 500' ' ' THR . 3.5 m-80 -114.66 159.18 20.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -131.13 138.57 49.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.634 HG11 HD23 ' A' ' 477' ' ' LEU . 6.3 t -127.89 117.98 47.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 0.888 ' HB ' HG23 ' A' ' 502' ' ' THR . 45.4 m -105.96 136.6 45.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . 0.452 HG21 HD11 ' A' ' 439' ' ' ILE . 1.2 mp -133.72 121.79 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.694 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.3 m-30 -113.55 110.03 19.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.628 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.1 t80 -107.89 140.13 41.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.587 ' CG ' ' CZ ' ' A' ' 464' ' ' TYR . 3.0 mttp -63.38 139.63 58.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.515 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 1.9 ttmt -76.5 107.67 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -117.34 4.2 18.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.537 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 3.5 m-85 -138.72 -66.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 0.745 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.537 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.6 p-10 153.2 -48.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.522 ' N ' ' ND2' ' A' ' 435' ' ' ASN . 37.5 p -142.14 60.0 10.0 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.007 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.498 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.98 148.59 35.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 452' ' ' PRO . 88.6 m-85 -94.63 156.36 16.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.529 HG21 HG21 ' A' ' 467' ' ' ILE . 1.9 tt -135.03 121.79 34.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.649 ' CE1' ' HB2' ' A' ' 451' ' ' ALA . 2.3 t-160 -99.77 119.35 38.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.56 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.974 ' CE1' HG11 ' A' ' 469' ' ' VAL . 15.9 p90 -130.78 153.96 48.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.682 ' C ' HD12 ' A' ' 477' ' ' LEU . 1.3 ttt180 -146.58 125.33 6.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.96 14.87 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . 0.573 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -52.76 103.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.29 -0.51 29.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -108.81 -148.63 13.16 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.66 161.42 30.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.583 ' CZ3' ' HB3' ' A' ' 442' ' ' ARG . 57.2 m95 -71.68 157.22 38.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 107.981 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . 0.595 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 1.6 p -84.12 157.32 21.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -59.11 95.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.649 ' HB2' ' CE1' ' A' ' 440' ' ' HIS . . . -56.34 128.08 72.6 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.645 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -75.01 138.89 58.69 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 120.992 -2.504 . . . . 0.0 110.952 0.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.645 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -37.25 -107.51 0.0 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 1.008 HG11 HD11 ' A' ' 467' ' ' ILE . 2.1 p -131.79 151.77 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -78.74 121.03 24.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 0.871 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -54.48 119.41 5.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 466' ' ' LYS . 44.7 mm-40 -50.18 173.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.34 131.89 34.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.841 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -111.91 102.49 10.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 461' ' ' ILE . 12.4 pt-20 -57.07 -16.59 7.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.233 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.557 ' C ' ' O ' ' A' ' 460' ' ' GLU . 5.9 mm -28.08 -48.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.9 m 156.57 47.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.022 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.515 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 93.12 39.87 5.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.798 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 2.7 m-30 -117.8 174.0 6.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.871 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -120.63 144.5 48.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.841 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 54.3 mtpt -129.03 141.3 51.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 1.008 HD11 HG11 ' A' ' 454' ' ' VAL . 0.2 OUTLIER -151.2 130.1 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . 0.648 HG23 ' OG1' ' A' ' 427' ' ' THR . 4.4 m -122.65 128.64 50.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.974 HG11 ' CE1' ' A' ' 441' ' ' TYR . 10.7 t -131.8 134.91 59.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.8 145.52 29.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.883 HD11 ' CG2' ' A' ' 500' ' ' THR . 37.8 pt -130.38 21.88 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.656 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -48.53 84.36 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.656 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.9 m 146.25 -13.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 0.573 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -127.56 136.68 52.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -7.2 56.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.965 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . 0.437 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 1.0 OUTLIER -153.27 161.9 41.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.682 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -145.32 142.98 29.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.535 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 2.8 mt-10 -98.18 148.32 23.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.748 ' HB3' ' HE2' ' A' ' 498' ' ' PHE . . . -139.36 156.32 47.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -145.93 152.61 39.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.628 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.6 t80 -110.42 140.1 44.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.467 ' HB3' ' CG ' ' A' ' 488' ' ' TRP . 0.7 OUTLIER -162.55 135.87 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.488 ' OD2' ' CZ ' ' A' ' 434' ' ' PHE . 31.4 p-10 -77.69 -9.41 58.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 81.85 -10.48 51.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.445 1.091 . . . . 0.0 110.988 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' A' ' 486' ' ' ASN . 0.6 OUTLIER -82.38 -30.12 30.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . 0.561 ' CB ' ' O ' ' A' ' 485' ' ' ASN . 0.9 OUTLIER 151.76 -20.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . 0.45 ' ND2' ' OD2' ' A' ' 483' ' ' ASP . 19.4 m-80 -81.56 110.48 16.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . 0.467 ' CG ' ' HB3' ' A' ' 482' ' ' ASN . 11.0 m0 -114.29 169.11 9.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 108.001 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 481' ' ' PHE . 0.1 OUTLIER -161.9 91.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.661 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -135.37 119.91 18.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.6 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 10.4 t-20 34.57 35.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 6.0 t-20 89.85 -40.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.661 ' N ' ' O ' ' A' ' 490' ' ' SER . 2.2 t 178.74 44.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.462 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.59 ' O ' ' HB3' ' A' ' 495' ' ' ASN . 38.5 mttt -149.55 -79.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 0.59 ' HB3' ' O ' ' A' ' 494' ' ' LYS . 0.0 OUTLIER 167.58 136.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 478' ' ' GLU . 34.0 m-85 -80.13 162.0 24.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . 0.495 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 12.4 t -125.18 136.28 53.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.001 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . 1.173 ' CE1' HG21 ' A' ' 516' ' ' ILE . 15.8 m-85 -139.38 153.95 47.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -105.04 152.78 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.883 ' CG2' HD11 ' A' ' 471' ' ' ILE . 23.9 p -32.58 147.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 120.53 -144.87 17.28 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.888 HG23 ' HB ' ' A' ' 427' ' ' THR . 2.7 m -127.96 136.32 51.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 110.459 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' A' ' 428' ' ' ILE . 0.1 OUTLIER -132.82 149.02 52.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.033 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.435 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 3.3 m -110.33 139.0 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -116.18 120.71 39.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.739 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.1 m -120.92 146.54 44.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.376 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . 0.739 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo -74.96 146.03 32.32 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.466 1.772 . . . . 0.0 111.053 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.508 ' HA2' ' CB ' ' A' ' 512' ' ' ASN . . . -59.61 77.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.463 1.102 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 507' ' ' PRO . 6.3 m-80 -63.89 81.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . 0.508 ' C ' ' H ' ' A' ' 512' ' ' ASN . 3.5 m 60.62 126.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 70.03 -42.54 0.49 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.55 1.156 . . . . 0.0 110.957 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . 0.508 ' CB ' ' HA2' ' A' ' 508' ' ' GLY . 20.5 m120 -72.19 161.89 30.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -149.18 92.97 2.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 53.21 86.15 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.23 142.41 27.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 110.421 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 1.173 HG21 ' CE1' ' A' ' 498' ' ' PHE . 1.1 mt -123.55 137.78 55.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . 0.435 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.1 OUTLIER -126.26 162.25 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 60.6 p -106.29 93.02 4.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.426 1.079 . . . . 0.0 109.977 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 128.55 132.8 3.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.529 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.14 153.71 44.64 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 151.45 39.62 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -105.03 52.12 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.035 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -127.59 62.58 0.62 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 12.5 t -90.75 175.87 6.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 110.454 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -149.75 107.16 0.34 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.501 ' HB3' HG22 ' A' ' 500' ' ' THR . 7.7 m-80 -105.16 161.52 14.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.22 148.64 51.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 500' ' ' THR . 6.1 t -130.0 120.35 49.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 1.006 ' HB ' HG23 ' A' ' 502' ' ' THR . 34.2 m -107.64 135.23 49.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.423 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -132.72 121.14 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.72 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.4 m-30 -114.56 114.46 25.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.577 ' CE2' ' CE1' ' A' ' 481' ' ' PHE . 12.4 t80 -106.82 139.88 40.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 3.9 tttt -64.97 140.49 58.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 5.6 ttmt -74.94 103.02 4.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -120.09 9.68 11.16 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.6 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 12.2 m-85 -142.23 -61.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.728 . . . . 0.0 110.995 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 11.1 m-20 147.7 -60.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.444 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 68.8 m -132.43 62.13 61.25 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -74.99 151.84 40.05 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.508 1.793 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -105.56 144.38 32.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.622 HD11 ' HB1' ' A' ' 479' ' ' ALA . 0.3 OUTLIER -127.52 119.2 51.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.772 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 0.7 OUTLIER -91.92 119.55 31.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.827 ' CD1' HG11 ' A' ' 469' ' ' VAL . 5.2 p90 -122.19 151.08 41.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.537 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.8 ttt180 -154.81 123.97 3.11 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.3 Cg_endo -75.0 134.56 17.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . 0.623 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -52.16 99.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 107.9 7.86 30.69 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.571 1.17 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -110.29 -152.03 13.29 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.07 157.8 30.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.537 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 42.3 m95 -74.56 156.68 36.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 108.017 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . 0.458 HG21 ' CE2' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -77.52 -179.51 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -78.77 97.43 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.772 ' HB2' ' HE1' ' A' ' 440' ' ' HIS . . . -55.74 139.79 68.63 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.599 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.5 Cg_endo -74.96 120.15 6.44 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.984 -0.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.655 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.8 -132.46 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.757 HG11 HD11 ' A' ' 467' ' ' ILE . 1.4 p -133.38 131.04 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -54.56 110.44 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 0.938 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 7.2 mtt -54.68 127.65 29.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -56.58 173.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.44 134.29 34.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.845 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -112.33 109.49 19.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.542 ' O ' ' C ' ' A' ' 461' ' ' ILE . 10.7 pt-20 -64.83 -18.69 65.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.569 ' O ' ' CB ' ' A' ' 462' ' ' SER . 1.0 OUTLIER -29.3 -45.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.569 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.8 OUTLIER 154.04 59.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 79.19 52.64 4.78 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.142 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.814 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 5.2 m-85 -131.69 -179.31 5.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 0.791 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.938 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.28 148.62 47.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.845 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 53.7 mtpt -129.1 145.79 51.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 0.757 HD11 HG11 ' A' ' 454' ' ' VAL . 0.3 OUTLIER -151.62 130.26 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . 0.526 HG23 ' OG1' ' A' ' 427' ' ' THR . 2.3 m -121.11 127.85 52.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.827 HG11 ' CD1' ' A' ' 441' ' ' TYR . 9.7 t -132.42 131.64 60.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -84.64 145.14 28.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.936 HD11 ' CG2' ' A' ' 500' ' ' THR . 11.3 pt -131.83 26.66 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.653 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -51.6 80.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.653 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.7 m 146.72 -12.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.728 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 0.623 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -124.05 139.69 53.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.51 -6.98 59.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -153.77 162.13 41.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.438 HD11 ' HB2' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -140.84 142.74 34.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.495 ' CG ' ' HB3' ' A' ' 495' ' ' ASN . 11.8 tp10 -98.1 139.49 33.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 110.266 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.684 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -130.09 157.14 43.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . 0.533 ' O ' HD13 ' A' ' 439' ' ' ILE . . . -144.53 153.41 41.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.577 ' CE1' ' CE2' ' A' ' 430' ' ' TYR . 9.1 t80 -110.41 145.94 36.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.515 ' OD1' ' CE3' ' A' ' 488' ' ' TRP . 0.7 OUTLIER -154.25 152.03 29.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.471 ' O ' ' ND2' ' A' ' 487' ' ' ASN . 0.4 OUTLIER -134.02 58.53 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 137.22 -71.57 0.47 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . 0.505 ' O ' ' NE1' ' A' ' 488' ' ' TRP . 4.3 t-20 178.81 -67.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 0.801 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -66.26 -20.09 66.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 483' ' ' ASP . 0.2 OUTLIER -89.35 97.98 11.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . 0.515 ' CE3' ' OD1' ' A' ' 482' ' ' ASN . 88.4 m95 -106.31 164.71 11.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 108.009 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . 0.46 ' CB ' ' HB3' ' A' ' 481' ' ' PHE . 0.8 OUTLIER -161.63 80.57 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.686 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.6 OUTLIER -121.49 120.86 36.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.991 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.553 ' HA ' ' CE1' ' A' ' 496' ' ' TYR . 0.2 OUTLIER 29.15 45.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 48.9 t30 85.2 -45.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.686 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.8 t 178.2 42.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.372 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 9.5 mtpt -143.47 -74.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 0.495 ' HB3' ' CG ' ' A' ' 478' ' ' GLU . 2.0 m-20 157.81 143.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 1.029 ' CD1' HD11 ' A' ' 516' ' ' ILE . 61.3 m-85 -91.05 147.85 22.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.8 t -122.6 129.89 52.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . 0.82 ' CE1' HG21 ' A' ' 516' ' ' ILE . 10.1 m-85 -132.9 143.67 49.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.549 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -99.22 148.25 24.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.936 ' CG2' HD11 ' A' ' 471' ' ' ILE . 31.4 p -26.46 138.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 110.382 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 129.94 -146.93 17.8 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 1.006 HG23 ' HB ' ' A' ' 427' ' ' THR . 2.0 m -129.83 132.98 46.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.41 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 517' ' ' THR . 0.3 OUTLIER -130.64 149.48 52.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.048 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 516' ' ' ILE . 15.4 m -113.27 138.49 49.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 12.1 t80 -118.32 126.24 51.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.801 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.0 m -133.75 147.7 65.45 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.451 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . 0.801 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo -75.04 146.07 32.06 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.553 1.818 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -93.96 -141.18 10.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 1.6 p-10 157.02 104.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . 0.449 ' C ' ' H ' ' A' ' 512' ' ' ASN . 3.2 m 64.26 112.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 77.31 -37.63 1.58 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . 0.449 ' H ' ' C ' ' A' ' 510' ' ' SER . 4.1 m-80 -92.03 161.27 14.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -164.43 101.21 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 53.61 97.61 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.36 138.85 31.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 0.762 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 1.029 HD11 ' CD1' ' A' ' 496' ' ' TYR . 5.8 mt -122.54 138.67 51.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 503' ' ' SER . 0.0 OUTLIER -130.48 162.71 28.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.362 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 28.3 p -105.42 91.89 3.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 131.56 131.77 3.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.467 1.104 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.503 ' CB ' ' CD2' ' A' ' 429' ' ' TYR . . . -63.96 152.09 88.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.763 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . 0.405 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.4 Cg_endo -74.92 149.91 37.78 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -106.38 53.3 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 116.64 172.93 16.63 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 72.3 p -44.9 105.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 0.785 . . . . 0.0 110.375 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . 0.419 ' HA3' ' HA3' ' A' ' 472' ' ' GLY . . . -127.5 -136.41 4.28 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.583 ' H ' ' CA ' ' A' ' 472' ' ' GLY . 9.9 m-80 -116.11 159.3 21.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.32 137.25 49.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.65 HG21 HD13 ' A' ' 471' ' ' ILE . 14.0 t -129.51 114.06 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 0.995 ' HB ' HG23 ' A' ' 502' ' ' THR . 45.9 m -101.16 135.72 42.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . 0.412 HG13 ' OG ' ' A' ' 503' ' ' SER . 0.9 OUTLIER -131.49 122.3 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.711 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.1 m-30 -113.62 108.92 17.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.604 ' OH ' ' CE1' ' A' ' 481' ' ' PHE . 4.1 t80 -107.81 140.51 40.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 111.034 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.6 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 14.8 tttm -63.57 140.21 58.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 463' ' ' GLY . 0.0 OUTLIER -94.17 116.33 28.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -120.01 -5.36 10.78 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.555 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 0.7 OUTLIER -115.19 -64.8 1.26 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 111.0 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.0 p30 151.66 -48.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.49 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 60.2 p -137.88 60.35 23.61 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.49 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.05 150.37 37.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.559 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 13.5 m-85 -104.57 150.74 24.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.507 HD13 HG21 ' A' ' 467' ' ' ILE . 1.9 tt -130.31 119.11 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.713 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 0.9 OUTLIER -94.71 117.25 29.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.572 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.871 ' CE1' HG11 ' A' ' 469' ' ' VAL . 3.4 p90 -135.34 152.79 51.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.775 ' C ' HD12 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -149.93 133.79 8.89 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.4 Cg_endo -75.02 133.48 16.62 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.459 1.768 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . 0.735 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -39.11 131.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 61.54 27.03 67.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -118.51 -136.22 5.4 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.24 147.95 32.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 110.006 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.629 ' CH2' ' ND2' ' A' ' 495' ' ' ASN . 88.1 m95 -75.27 160.32 30.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 108.004 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . 0.585 HG22 ' H ' ' A' ' 450' ' ' ALA . 2.7 m -74.55 -173.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.365 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.585 ' H ' HG22 ' A' ' 449' ' ' THR . . . -83.27 104.49 13.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.713 ' HB2' ' HE1' ' A' ' 440' ' ' HIS . . . -54.51 139.23 59.1 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.609 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -75.04 120.43 6.65 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.97 0.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.65 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.63 -130.98 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.663 HG11 ' HE2' ' A' ' 441' ' ' TYR . 7.1 p -132.11 137.83 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -58.02 108.62 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 0.984 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 29.3 mtm -55.57 137.54 48.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -64.87 172.07 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.45 131.76 34.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.843 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -111.97 102.25 10.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.0 pt-20 -57.34 -16.18 8.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.565 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -28.66 -46.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.565 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.4 m 153.71 44.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.432 ' O ' ' HB3' ' A' ' 432' ' ' LYS . . . 96.27 45.97 2.68 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.835 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.8 m-85 -126.13 177.75 6.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.984 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -120.73 151.01 40.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.843 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 51.3 mtpt -130.67 146.72 52.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 0.734 HD13 ' HA ' ' A' ' 456' ' ' MET . 1.5 tp -151.7 130.3 2.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . 0.464 HG23 ' OG1' ' A' ' 427' ' ' THR . 3.4 m -123.28 123.23 40.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.39 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.871 HG11 ' CE1' ' A' ' 441' ' ' TYR . 10.2 t -132.01 135.76 57.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.448 ' HA ' ' O ' ' A' ' 424' ' ' ASN . 2.1 t70 -83.32 145.59 28.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.65 HD13 HG21 ' A' ' 426' ' ' VAL . 12.9 pt -139.82 28.12 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.583 ' CA ' ' H ' ' A' ' 424' ' ' ASN . . . -53.25 -16.06 4.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.452 1.095 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.71 2.48 21.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.003 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 0.735 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -141.58 128.23 20.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 2.6 t -69.24 -8.97 50.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 3.6 mt-30 -153.89 162.82 40.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.775 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.4 OUTLIER -142.49 141.89 32.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.52 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 12.3 mp0 -98.03 147.78 24.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.706 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -139.23 156.87 46.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . 0.771 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -145.17 150.61 37.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.604 ' CE1' ' OH ' ' A' ' 430' ' ' TYR . 1.5 t80 -109.92 137.87 47.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.472 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.3 OUTLIER -161.59 134.31 6.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 487' ' ' ASN . 15.6 p-10 -69.24 -9.4 52.89 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.559 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 83.18 -10.56 58.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -82.17 -83.5 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.733 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.51 17.84 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' A' ' 483' ' ' ASP . 44.8 m-80 -123.29 119.35 29.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -113.72 179.85 3.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . 0.554 ' HB2' ' CD2' ' A' ' 481' ' ' PHE . 0.6 OUTLIER -170.08 96.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.685 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -134.44 119.41 18.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.559 ' C ' ' O ' ' A' ' 490' ' ' SER . 11.4 t-20 27.43 45.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 8.9 t-20 84.88 -45.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.685 ' N ' ' O ' ' A' ' 490' ' ' SER . 4.0 t 179.57 42.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.41 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 22.5 mttm -142.61 -73.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 0.771 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 3.5 m-20 156.69 144.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 1.064 ' CD1' HD11 ' A' ' 516' ' ' ILE . 71.0 m-85 -89.2 158.14 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . 0.483 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 6.8 t -131.06 139.01 49.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 110.027 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . 0.799 ' CE1' HG21 ' A' ' 516' ' ' ILE . 11.9 m-85 -138.7 147.62 42.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.527 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -102.87 152.13 21.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.942 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.646 ' CG2' HD11 ' A' ' 471' ' ' ILE . 26.9 p -27.62 140.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.416 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.28 -150.46 17.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.995 HG23 ' HB ' ' A' ' 427' ' ' THR . 4.1 m -128.75 133.38 48.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.774 . . . . 0.0 110.387 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.412 ' OG ' HG13 ' A' ' 428' ' ' ILE . 78.0 p -134.57 149.11 50.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 4.8 m -116.08 138.08 51.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.354 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . 0.565 ' OH ' ' CE2' ' A' ' 496' ' ' TYR . 8.1 t80 -119.55 128.63 54.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.717 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.9 m -132.92 146.36 60.98 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.41 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . 0.717 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.4 Cg_endo -74.97 144.52 30.46 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -108.56 -142.19 9.88 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 0.9 OUTLIER 156.29 154.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 0.733 . . . . 0.0 109.345 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.67 -84.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -110.2 -16.91 9.89 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -95.94 161.43 14.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 0.779 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -166.6 103.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 51.37 88.92 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.58 139.06 30.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.753 . . . . 0.0 110.378 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 1.064 HD11 ' CD1' ' A' ' 496' ' ' TYR . 4.2 mt -119.86 138.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.73 162.59 26.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 4.7 m -105.49 91.58 3.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.33 135.32 3.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.501 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.18 156.66 26.79 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . 0.434 ' HG2' HG21 ' A' ' 461' ' ' ILE . 18.5 Cg_endo -74.91 150.04 38.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.456 1.766 . . . . 0.0 110.99 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -112.38 55.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.031 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -170.8 120.95 0.88 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 2.7 m -151.89 136.91 17.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 0.769 . . . . 0.0 110.402 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -178.42 -70.77 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.134 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.522 ' HB3' HG22 ' A' ' 500' ' ' THR . 5.7 m120 -128.46 158.87 37.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -130.15 147.54 51.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 3.4 t -129.28 120.72 51.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 0.701 ' CG2' ' CE1' ' A' ' 429' ' ' TYR . 51.9 m -106.86 136.26 47.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . 0.535 ' HB ' HG22 ' A' ' 467' ' ' ILE . 2.6 mt -132.54 121.62 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.35 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.701 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.9 m-30 -114.65 113.12 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.626 ' CE2' ' CE1' ' A' ' 481' ' ' PHE . 6.5 t80 -108.64 141.19 40.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.541 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -63.76 139.68 58.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 6.0 ttmt -74.82 109.94 8.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.19 18.79 6.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.6 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 12.1 m-85 -152.32 -61.1 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.747 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 0.5 OUTLIER 148.01 -60.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.477 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 61.0 p -133.28 61.05 52.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.981 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.04 147.8 34.27 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.58 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 21.8 m-85 -98.52 152.22 19.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.763 HD12 ' CE ' ' A' ' 456' ' ' MET . 4.6 tt -131.79 122.51 49.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.615 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 1.0 OUTLIER -92.72 118.49 31.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.606 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.764 ' CD1' HG11 ' A' ' 469' ' ' VAL . 4.6 p90 -127.25 151.65 48.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.525 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.9 ttt180 -153.35 126.36 4.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.3 Cg_endo -75.01 134.49 17.87 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.799 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.83 101.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 106.86 5.91 35.26 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -110.44 -151.35 12.85 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.08 162.2 21.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.557 ' HB3' ' CE1' ' A' ' 440' ' ' HIS . 50.3 m95 -77.42 155.73 31.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.05 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . 0.439 HG21 ' CE2' ' A' ' 441' ' ' TYR . 0.4 OUTLIER -76.31 -175.78 3.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.407 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -79.08 93.15 5.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.664 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.01 139.49 63.55 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.577 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.03 119.37 5.92 Favored 'Cis proline' 0 C--N 1.359 1.11 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.03 0.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.664 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 19.87 -136.66 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.536 1.148 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.742 HG11 HD11 ' A' ' 467' ' ' ILE . 1.0 OUTLIER -131.94 135.69 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -54.55 108.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 0.907 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 7.4 mtp -53.86 127.01 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 466' ' ' LYS . 24.4 mt-30 -54.48 173.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.334 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.3 136.56 33.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.919 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -112.09 112.92 24.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.515 ' O ' ' C ' ' A' ' 461' ' ' ILE . 10.4 pt-20 -69.39 -18.36 63.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.558 ' O ' ' CB ' ' A' ' 462' ' ' SER . 0.9 OUTLIER -30.71 -46.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.9 OUTLIER 154.27 58.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 80.39 54.02 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.905 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.5 m-85 -132.58 -176.8 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 0.793 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.907 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -126.0 151.23 47.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.919 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 46.5 mtpt -133.32 148.18 51.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 0.742 HD11 HG11 ' A' ' 454' ' ' VAL . 0.4 OUTLIER -151.29 136.31 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.7 m -122.97 128.0 49.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.764 HG11 ' CD1' ' A' ' 441' ' ' TYR . 26.1 t -134.27 129.72 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -84.72 144.88 28.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.967 HD11 ' CG2' ' A' ' 500' ' ' THR . 29.9 pt -126.92 -39.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.478 ' HA2' ' N ' ' A' ' 424' ' ' ASN . . . 36.14 -90.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.538 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -54.61 -10.68 0.46 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.96 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 0.867 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -112.0 132.96 54.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.31 -13.77 54.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -151.92 163.32 39.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.88 HD23 ' C ' ' A' ' 477' ' ' LEU . 0.2 OUTLIER -140.64 134.28 30.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 2.4 tt0 -104.24 129.0 52.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.267 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.615 ' HA ' ' O ' ' A' ' 440' ' ' HIS . . . -143.53 166.64 24.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . 0.592 ' HB2' ' HB3' ' A' ' 490' ' ' SER . . . -139.78 168.99 18.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.626 ' CE1' ' CE2' ' A' ' 430' ' ' TYR . 1.4 t80 -108.53 144.46 36.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.516 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.9 OUTLIER -160.26 136.25 8.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.563 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 14.1 p-10 -68.0 -16.0 63.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.58 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 93.99 -13.24 67.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -81.81 -83.52 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 0.753 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -154.86 17.79 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . 0.411 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 5.4 m-80 -119.78 117.64 28.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . 0.405 ' CD2' ' HB3' ' A' ' 482' ' ' ASN . 17.9 m95 -117.26 175.77 5.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.39 99.99 0.93 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.714 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -133.92 120.41 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.973 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.587 ' C ' ' O ' ' A' ' 490' ' ' SER . 10.0 t-20 24.36 49.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 51.7 t30 83.32 -46.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.714 ' N ' ' O ' ' A' ' 490' ' ' SER . 2.7 t 178.79 42.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.435 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 1.0 OUTLIER -140.28 -73.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 494' ' ' LYS . 1.7 m-80 158.76 146.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 0.988 ' CD1' HD11 ' A' ' 516' ' ' ILE . 55.3 m-85 -94.23 147.0 23.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 17.8 t -117.87 133.07 56.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . 0.734 ' CE1' HG21 ' A' ' 516' ' ' ILE . 8.5 m-85 -133.44 142.34 48.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.494 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -97.81 154.03 17.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.967 ' CG2' HD11 ' A' ' 471' ' ' ILE . 34.9 p -30.47 145.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 121.07 -145.58 17.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.489 HG23 ' HB ' ' A' ' 427' ' ' THR . 33.9 m -129.4 137.09 50.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 0.754 . . . . 0.0 110.427 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 10.5 p -130.71 148.53 52.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.98 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.414 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 17.1 m -111.54 138.19 48.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . 0.426 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 3.2 t80 -122.0 123.86 42.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.75 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.9 m -129.44 146.52 61.34 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . 0.75 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo -75.02 144.86 30.69 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 111.032 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.446 ' HA3' ' CB ' ' A' ' 512' ' ' ASN . . . -92.49 -129.93 5.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . 0.403 ' ND2' ' O ' ' A' ' 508' ' ' GLY . 0.3 OUTLIER 164.45 87.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.94 -84.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.968 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -56.41 -27.31 53.32 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . 0.502 HD22 ' N ' ' A' ' 512' ' ' ASN . 1.8 m-80 -111.0 160.37 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.764 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -152.05 91.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 50.39 97.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.89 139.55 30.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.433 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 0.988 HD11 ' CD1' ' A' ' 496' ' ' TYR . 3.1 mt -123.82 138.91 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . 0.414 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.6 OUTLIER -132.02 162.61 30.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.43 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 20.4 m -103.93 93.08 4.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 134.21 130.49 3.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.501 ' HB1' ' CD2' ' A' ' 429' ' ' TYR . . . -67.26 152.6 95.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.537 0.786 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . 0.405 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.3 Cg_endo -75.02 151.06 38.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.0 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -109.68 53.49 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -169.56 61.79 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 18.7 m -38.63 -42.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 110.352 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 94.59 90.29 1.68 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.563 1.165 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.478 ' H ' ' CA ' ' A' ' 472' ' ' GLY . 14.3 m120 -120.55 152.71 37.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 137.02 51.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.602 HG11 HD23 ' A' ' 477' ' ' LEU . 4.4 t -127.63 120.59 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 0.934 ' HB ' HG23 ' A' ' 502' ' ' THR . 66.1 m -105.72 127.3 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.431 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . 0.729 HG21 HD11 ' A' ' 439' ' ' ILE . 2.9 mt -125.02 120.57 58.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.701 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 14.3 m-30 -114.0 113.3 24.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.608 ' CE2' ' O ' ' A' ' 431' ' ' LYS . 11.0 t80 -107.76 140.16 41.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.608 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 3.6 tmtm? -62.73 140.39 58.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.518 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 4.2 ttmt -79.56 106.83 11.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -121.47 6.58 10.63 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.535 1.147 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.605 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 15.6 m-85 -136.67 -59.7 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.605 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.3 m120 147.99 -63.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.288 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.469 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 8.3 t -131.07 61.54 60.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.469 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.2 Cg_endo -75.01 156.17 42.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.579 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 7.1 m-85 -107.02 151.24 25.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.729 HD11 HG21 ' A' ' 428' ' ' ILE . 2.4 tt -131.18 119.08 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.537 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 1.7 t-160 -93.33 120.74 33.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.611 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.896 ' CD2' HG21 ' A' ' 469' ' ' VAL . 5.7 p90 -123.74 150.68 44.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.718 ' C ' HD12 ' A' ' 477' ' ' LEU . 2.3 ttp180 -147.03 125.04 6.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 133.7 16.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -56.15 102.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 113.93 0.67 24.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -116.34 -148.83 9.14 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . 0.464 ' OG ' ' N ' ' A' ' 448' ' ' TRP . 12.0 t -121.61 -176.94 3.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.003 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.662 ' CZ2' ' ND2' ' A' ' 495' ' ' ASN . 71.5 m95 -91.08 162.13 14.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 107.995 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . 0.485 ' N ' ' HE2' ' A' ' 440' ' ' HIS . 0.2 OUTLIER -77.34 -177.85 4.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.361 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -77.43 97.93 5.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.64 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.95 139.31 70.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.621 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.4 Cg_endo -74.93 120.53 6.7 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.024 -0.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.64 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.91 -130.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.65 HG11 HD11 ' A' ' 467' ' ' ILE . 10.1 p -133.03 138.94 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -60.19 113.14 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 0.957 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 37.7 mtm -59.39 128.75 38.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 466' ' ' LYS . 23.8 mm-40 -59.06 176.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.87 135.22 33.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.899 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -113.39 109.52 18.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 461' ' ' ILE . 12.8 pt-20 -66.15 -14.15 61.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.545 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -31.19 -46.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.4 m 155.19 44.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.29 48.21 2.25 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.892 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.2 m-85 -127.33 179.99 5.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.777 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.957 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -122.99 148.3 45.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.899 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 47.6 mtpt -128.24 146.25 50.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 0.65 HD11 HG11 ' A' ' 454' ' ' VAL . 0.3 OUTLIER -151.67 129.12 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . 0.436 HG23 ' OG1' ' A' ' 427' ' ' THR . 3.2 m -120.93 125.42 47.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.404 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.896 HG21 ' CD2' ' A' ' 441' ' ' TYR . 14.7 t -132.99 136.92 54.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 424' ' ' ASN . 2.9 t70 -89.96 146.62 24.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.771 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 8.7 pt -129.53 8.32 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.714 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -22.07 108.63 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.714 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 7.1 t 106.13 -13.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 0.771 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -106.44 133.97 50.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.55 -15.7 56.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.041 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -155.35 161.73 40.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.718 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.1 OUTLIER -140.71 143.31 34.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.163 . . . . 0.0 109.33 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.459 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 0.4 OUTLIER -95.99 148.18 22.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.28 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.82 ' HB3' ' CE1' ' A' ' 498' ' ' PHE . . . -136.28 156.63 48.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . 0.673 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -144.76 148.75 34.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.596 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 3.2 t80 -109.01 142.72 39.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.46 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.4 OUTLIER -160.54 148.17 16.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.574 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 15.9 p-10 -83.54 -11.53 57.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.579 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 88.34 -13.15 62.66 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -81.48 -84.37 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 0.773 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -155.46 18.49 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . 0.41 ' O ' ' OD1' ' A' ' 483' ' ' ASP . 4.5 m-80 -121.61 122.02 38.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . 0.419 ' CE3' ' OD1' ' A' ' 482' ' ' ASN . 7.4 m95 -114.88 -179.31 3.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 108.005 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . 0.447 ' HB2' ' CD2' ' A' ' 481' ' ' PHE . 0.2 OUTLIER -169.36 94.94 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.67 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -133.33 119.5 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.565 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 0.1 OUTLIER 31.21 41.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.565 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 16.4 t-20 87.08 -44.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.67 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.9 t 177.91 45.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 110.37 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 27.4 mttt -147.71 -73.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 0.673 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 1.7 m-20 158.58 141.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 0.854 ' CD1' HD11 ' A' ' 516' ' ' ILE . 55.1 m-85 -88.17 161.56 17.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . 0.489 ' C ' ' CD1' ' A' ' 498' ' ' PHE . 40.6 t -129.2 138.78 51.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . 0.82 ' CE1' ' HB3' ' A' ' 479' ' ' ALA . 0.8 OUTLIER -141.88 145.34 34.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.525 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -97.68 146.14 25.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.002 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.752 ' CG2' HD11 ' A' ' 471' ' ' ILE . 41.0 p -28.75 142.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 127.11 -144.1 14.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.934 HG23 ' HB ' ' A' ' 427' ' ' THR . 1.3 m -129.54 131.3 46.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 110.378 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 517' ' ' THR . 4.2 p -130.94 149.31 52.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.434 ' OG1' ' HD3' ' A' ' 521' ' ' PRO . 37.3 m -111.97 138.69 48.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.448 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -121.26 122.45 39.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.783 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.1 m -129.62 147.31 64.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . 0.783 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo -74.99 145.52 31.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.477 ' CA ' ' HB2' ' A' ' 512' ' ' ASN . . . -92.82 -132.13 5.94 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 511' ' ' GLY . 1.1 m120 166.0 94.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 0.789 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.61 -81.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 509' ' ' ASN . . . -61.59 -22.52 61.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.14 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . 0.477 ' HB2' ' CA ' ' A' ' 508' ' ' GLY . 31.7 m120 -115.06 160.47 19.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -154.43 94.74 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 48.88 97.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.14 140.84 29.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.429 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 0.854 HD11 ' CD1' ' A' ' 496' ' ' TYR . 11.3 mt -123.22 138.96 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 503' ' ' SER . 0.0 OUTLIER -132.77 162.94 30.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.395 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 4.7 m -105.43 92.48 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.989 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 133.69 131.24 3.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.558 ' HB1' ' CD2' ' A' ' 429' ' ' TYR . . . -67.72 147.65 98.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 0.735 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . 0.458 ' HG2' HG21 ' A' ' 461' ' ' ILE . 18.1 Cg_endo -75.07 152.37 40.37 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . 47.32 20.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 521' ' ' PRO . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.522 1.139 . . . . 0.0 110.947 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 125.58 -98.17 0.53 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 176.45 -45.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 110.423 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 88.69 100.96 0.98 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 111.05 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.458 ' N ' ' HA2' ' A' ' 472' ' ' GLY . 2.1 m120 -125.47 156.81 38.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 109.314 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.48 ' HD2' HG22 ' A' ' 468' ' ' THR . 0.1 OUTLIER -130.1 144.47 51.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.89 117.03 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 0.844 ' HB ' HG23 ' A' ' 502' ' ' THR . 96.1 m -103.22 135.52 44.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . 0.414 ' HB ' HG22 ' A' ' 467' ' ' ILE . 2.5 mt -133.21 122.15 44.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.697 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.3 m-30 -114.0 110.91 20.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.607 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.0 t80 -106.79 140.27 39.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.606 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -62.96 140.86 58.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.4 ttmm -82.81 109.73 17.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -126.53 16.03 6.66 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.58 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 28.9 m-85 -146.22 -63.71 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 111.036 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.58 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.2 m120 149.29 -63.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.463 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 58.1 m -130.25 61.77 60.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.463 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.02 144.08 29.77 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.558 1.82 . . . . 0.0 110.983 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.584 ' CD2' ' HB2' ' A' ' 452' ' ' PRO . 76.4 m-85 -91.28 150.93 21.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.39 125.86 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.524 ' O ' ' HA ' ' A' ' 479' ' ' ALA . 6.2 t60 -100.53 117.97 35.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.604 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.814 ' CE1' HG11 ' A' ' 469' ' ' VAL . 4.9 p90 -132.91 151.56 52.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.618 ' HG2' ' CE2' ' A' ' 448' ' ' TRP . 0.0 OUTLIER -153.53 131.99 6.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . 0.419 ' O ' ' HD2' ' A' ' 442' ' ' ARG . 18.1 Cg_endo -75.06 134.75 18.08 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . 0.483 ' HA ' HH21 ' A' ' 442' ' ' ARG . . . -44.43 135.95 4.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 64.49 16.01 60.15 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -109.51 -134.7 7.03 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.36 146.75 30.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.779 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.618 ' CE2' ' HG2' ' A' ' 442' ' ' ARG . 86.4 m95 -73.75 156.47 37.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 107.968 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . 0.412 ' O ' ' CE1' ' A' ' 440' ' ' HIS . 1.7 p -73.32 -174.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.379 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.528 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -89.44 95.88 10.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.449 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -52.21 127.24 37.97 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.64 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -74.97 144.54 81.3 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.003 -2.499 . . . . 0.0 110.99 -0.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -45.74 -116.91 0.0 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.404 HG13 HD11 ' A' ' 467' ' ' ILE . 3.5 p -130.67 142.13 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . 0.447 ' O ' ' NE2' ' A' ' 457' ' ' GLN . 0.4 OUTLIER -68.53 115.02 7.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 0.864 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -46.28 120.04 2.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 455' ' ' LYS . 27.5 mm-40 -47.4 174.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.31 133.7 34.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.833 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -113.71 105.4 13.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.5 pt-20 -59.78 -15.5 20.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.561 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.2 mm -29.39 -47.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.0 OUTLIER 154.48 44.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.03 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.15 46.53 2.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.827 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.8 m-85 -126.84 179.89 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.864 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.07 147.22 48.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.833 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 51.1 mtpt -127.39 146.98 50.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 0.813 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.2 tp -150.97 129.47 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . 0.48 HG22 ' HD2' ' A' ' 425' ' ' LYS . 1.7 m -121.61 123.5 42.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.814 HG11 ' CE1' ' A' ' 441' ' ' TYR . 21.4 t -131.85 133.38 61.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -86.78 145.48 26.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.9 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 40.0 pt -121.96 -38.15 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.458 ' HA2' ' N ' ' A' ' 424' ' ' ASN . . . 36.88 -91.72 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.508 1.13 . . . . 0.0 110.96 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -55.29 -13.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.988 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 0.9 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -108.28 127.29 53.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.31 -13.03 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -153.37 161.78 41.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.592 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -140.61 131.85 26.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.453 ' OE1' ' NH2' ' A' ' 442' ' ' ARG . 0.8 OUTLIER -111.56 135.69 51.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.721 ' HB2' ' CB ' ' A' ' 441' ' ' TYR . . . -149.34 162.92 39.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -130.89 169.05 16.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.607 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.8 t80 -109.16 145.75 35.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.513 ' HB3' ' CG ' ' A' ' 488' ' ' TRP . 1.0 OUTLIER -161.58 137.88 8.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.435 ' OD2' ' ND2' ' A' ' 487' ' ' ASN . 20.1 p-10 -78.37 -6.91 56.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.557 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 81.55 -10.59 49.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.563 1.164 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . 0.563 ' O ' ' CB ' ' A' ' 486' ' ' ASN . 0.6 OUTLIER -82.63 -31.09 28.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 109.283 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . 0.563 ' CB ' ' O ' ' A' ' 485' ' ' ASN . 1.2 t30 151.68 -20.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . 0.435 ' ND2' ' OD2' ' A' ' 483' ' ' ASP . 20.8 m-80 -79.34 111.27 15.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . 0.513 ' CG ' ' HB3' ' A' ' 482' ' ' ASN . 11.3 m0 -116.12 165.68 12.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.01 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -148.72 108.97 4.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 492' ' ' ASN . 1.9 p -133.89 176.0 8.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.453 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 49.3 t30 -38.31 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.5 m-20 159.18 -22.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 1.8 t 177.89 28.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.436 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 19.0 mttt -145.75 -71.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 494' ' ' LYS . 0.6 OUTLIER 157.57 169.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 0.704 ' CD1' HD11 ' A' ' 516' ' ' ILE . 64.0 m-85 -94.46 153.87 17.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.7 t -112.15 141.36 45.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . 0.45 ' HE1' HG21 ' A' ' 516' ' ' ILE . 15.6 m-85 -138.0 146.98 43.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.481 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.1 OUTLIER -107.88 154.84 21.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.035 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.712 HG22 HD11 ' A' ' 471' ' ' ILE . 36.8 p -32.4 143.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 119.0 -146.41 18.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.844 HG23 ' HB ' ' A' ' 427' ' ' THR . 11.2 m -129.17 137.84 51.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 110.414 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 9.1 p -132.78 148.68 52.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.946 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.419 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 3.8 m -111.02 139.02 46.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.373 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 3.0 t80 -120.23 125.78 49.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.76 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.7 m -133.2 147.0 63.36 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . 0.76 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo -75.01 145.98 32.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.599 1.842 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.474 ' O ' ' HB3' ' A' ' 509' ' ' ASN . . . -90.49 -139.53 7.98 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . 0.474 ' HB3' ' O ' ' A' ' 508' ' ' GLY . 4.5 p-10 157.41 101.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 0.741 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . 0.43 ' C ' ' H ' ' A' ' 512' ' ' ASN . 3.3 m 64.93 112.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 78.03 -37.53 1.73 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 110.957 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . 0.43 ' H ' ' C ' ' A' ' 510' ' ' SER . 5.7 m-80 -92.11 160.41 15.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 0.732 . . . . 0.0 109.295 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 514' ' ' GLY . . . -158.63 96.22 1.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 513' ' ' ALA . . . 50.79 103.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.512 1.133 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.67 142.57 27.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.74 . . . . 0.0 110.422 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 0.704 HD11 ' CD1' ' A' ' 496' ' ' TYR . 1.6 mt -123.19 138.36 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . 0.419 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.6 OUTLIER -128.7 162.13 28.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.423 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 79.1 p -105.55 93.12 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.976 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.19 131.69 3.41 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -58.79 156.22 26.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 0.798 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 150.04 37.36 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -112.11 57.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.128 . . . . 0.0 110.995 -179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 143.11 136.02 3.11 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 13.5 t -84.29 161.43 20.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.421 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 160.36 -107.0 0.3 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.455 1.097 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.557 ' HB3' HG22 ' A' ' 500' ' ' THR . 26.6 m120 -75.75 153.99 36.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 426' ' ' VAL . 0.8 OUTLIER -128.1 145.73 50.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.479 ' CG2' HD13 ' A' ' 471' ' ' ILE . 8.8 t -127.6 124.99 64.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 0.857 ' HB ' HG23 ' A' ' 502' ' ' THR . 54.8 m -109.69 136.48 48.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.379 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 2.6 mt -132.51 122.03 46.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.701 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.6 m-30 -114.47 110.51 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.612 ' CE2' ' O ' ' A' ' 431' ' ' LYS . 19.4 t80 -107.06 139.38 41.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.612 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.4 OUTLIER -64.14 140.27 58.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.3 ttmt -76.82 104.69 7.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -119.37 7.01 12.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.614 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 17.2 m-85 -140.25 -60.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 111.053 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 12.8 m-20 147.07 -60.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.476 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 49.5 m -132.43 61.18 55.61 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.99 151.24 39.32 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.548 1.815 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.508 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 65.3 m-85 -99.02 151.31 21.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 111.052 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.542 HG21 HG21 ' A' ' 467' ' ' ILE . 0.1 OUTLIER -133.09 119.12 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 448' ' ' TRP . 2.9 t60 -92.36 121.23 33.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.794 ' CD1' HG11 ' A' ' 469' ' ' VAL . 6.6 p90 -129.34 151.78 49.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.53 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.9 ttt180 -153.35 125.11 3.74 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.333 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 134.88 18.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 110.955 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . 0.459 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -53.86 101.8 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 104.66 8.47 37.31 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.13 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -111.64 -152.95 12.3 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.9 155.45 35.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.044 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.53 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 36.7 m95 -70.58 158.88 35.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 108.038 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . 0.683 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -81.58 -175.29 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -81.12 96.07 7.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.676 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -58.48 138.77 85.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.619 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.96 118.62 5.41 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.977 -2.51 . . . . 0.0 111.024 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.676 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 13.27 -130.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.145 . . . . 0.0 111.011 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 14.6 p -132.96 138.69 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.57 110.03 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 0.897 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 24.4 mtm -50.82 123.64 9.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 13.9 mt-30 -52.83 174.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.63 131.98 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.359 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.85 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -110.5 107.95 17.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.4 pt-20 -59.67 -15.09 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.239 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.576 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.2 mm -30.06 -45.91 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.2 m 152.76 44.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.036 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 95.72 45.73 2.86 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.686 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 2.3 m-85 -123.05 -179.82 4.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 0.731 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.897 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.75 144.34 50.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.85 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 56.5 mtpt -126.13 143.91 50.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 0.887 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.3 tp -150.89 129.7 2.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . . . . . . . . . 1.5 m -119.0 122.81 43.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.794 HG11 ' CD1' ' A' ' 441' ' ' TYR . 44.1 t -124.54 127.11 72.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.05 145.3 30.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.764 HD11 ' CG2' ' A' ' 500' ' ' THR . 11.1 pt -131.68 28.0 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.638 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -51.63 78.88 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.107 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.638 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.2 m 148.27 -15.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 0.742 . . . . 0.0 109.944 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -123.57 135.49 54.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.0 -8.19 57.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -154.51 162.4 41.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.858 HD23 ' C ' ' A' ' 477' ' ' LEU . 0.2 OUTLIER -141.95 139.36 32.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 3.2 tt0 -107.34 128.08 54.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.542 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -144.85 162.34 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -138.47 168.54 19.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.591 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.1 t80 -109.53 145.42 36.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.506 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.5 OUTLIER -162.33 135.61 6.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.434 ' OD1' ' ND2' ' A' ' 487' ' ' ASN . 10.6 p-10 -75.78 -6.4 50.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 81.87 -14.45 31.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.53 1.143 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . 0.554 ' O ' ' CB ' ' A' ' 486' ' ' ASN . 0.7 OUTLIER -76.6 -32.48 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.329 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 485' ' ' ASN . 1.4 m120 152.45 -19.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . 0.434 ' ND2' ' OD1' ' A' ' 483' ' ' ASP . 37.9 m-80 -82.31 112.15 19.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -113.74 171.08 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 107.995 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 481' ' ' PHE . 0.6 OUTLIER -149.6 107.8 3.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 492' ' ' ASN . 14.6 m -132.95 175.57 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.021 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.446 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 50.0 t30 -38.97 -28.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 490' ' ' SER . 0.8 OUTLIER 159.83 -22.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 1.8 t 177.47 30.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.39 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 0.5 OUTLIER -146.64 -71.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 494' ' ' LYS . 6.4 p-10 157.6 166.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 0.501 ' O ' ' HA ' ' A' ' 478' ' ' GLU . 47.7 m-85 -95.92 152.79 18.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 48.5 t -115.41 139.1 50.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . 0.715 ' HE1' HG21 ' A' ' 516' ' ' ILE . 8.9 m-85 -137.59 143.21 41.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.508 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -100.06 149.63 23.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.959 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.764 ' CG2' HD11 ' A' ' 471' ' ' ILE . 41.4 p -28.67 141.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 125.51 -146.63 16.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.434 1.084 . . . . 0.0 111.033 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.857 HG23 ' HB ' ' A' ' 427' ' ' THR . 8.1 m -129.87 138.59 51.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 0.766 . . . . 0.0 110.455 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 6.3 p -133.86 148.02 51.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.975 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.406 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 6.0 m -115.19 137.95 51.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.447 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -121.76 118.96 30.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 3.0 m -118.69 121.85 30.41 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 141.19 26.31 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.477 1.778 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.604 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -42.37 -85.18 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.54 1.15 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . 0.604 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 3.3 t-20 90.12 58.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 509' ' ' ASN . 0.5 OUTLIER 159.69 -64.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.028 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -165.32 27.58 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.094 . . . . 0.0 111.066 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . 0.588 ' ND2' ' N ' ' A' ' 513' ' ' ALA . 0.9 OUTLIER -118.6 160.16 22.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.588 ' N ' ' ND2' ' A' ' 512' ' ' ASN . . . -85.19 -125.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -124.93 114.62 2.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.93 138.46 31.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 0.774 . . . . 0.0 110.453 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 0.715 HG21 ' HE1' ' A' ' 498' ' ' PHE . 4.3 mt -123.58 138.07 54.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . 0.406 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 1.2 p -126.5 162.06 26.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 58.5 m -105.38 91.5 3.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 0.0 109.984 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 132.94 132.57 3.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.552 1.158 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.27 156.58 28.24 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 149.64 36.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.457 1.767 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -117.89 61.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -159.06 166.23 34.51 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.11 -5.87 54.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 77.14 78.19 0.76 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.414 ' HB3' HG22 ' A' ' 500' ' ' THR . 10.8 m-80 -93.62 156.65 16.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.745 ' HD2' HG22 ' A' ' 468' ' ' THR . 5.8 tppt? -128.7 146.34 50.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.592 ' CG2' HD13 ' A' ' 471' ' ' ILE . 9.9 t -133.77 123.8 46.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 0.919 ' HB ' HG23 ' A' ' 502' ' ' THR . 74.5 m -112.21 134.18 53.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -132.93 122.76 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.693 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.2 m-30 -114.2 113.06 24.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 111.026 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.605 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.2 t80 -107.39 140.55 40.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -62.71 140.78 58.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.8 ttmt -74.07 117.53 15.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.41 10.02 6.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.557 ' CZ ' ' OD2' ' A' ' 483' ' ' ASP . 0.4 OUTLIER -144.14 -70.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.773 . . . . 0.0 110.959 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 0.4 OUTLIER 154.42 -25.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.505 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 46.0 m -166.29 59.34 0.54 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.03 150.57 38.22 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.574 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 20.8 m-85 -97.74 152.11 19.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.492 HG21 HG21 ' A' ' 467' ' ' ILE . 0.2 OUTLIER -132.9 123.72 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.73 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 21.6 t60 -96.46 122.98 39.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.624 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 1.002 ' CE1' HG11 ' A' ' 469' ' ' VAL . 6.7 p90 -129.97 152.47 49.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.519 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.5 ttt180 -152.65 125.92 4.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 134.95 18.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.796 . . . . 0.0 111.051 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -54.48 102.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 105.69 5.71 38.75 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -109.16 -150.24 13.69 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.28 154.98 44.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.777 . . . . 0.0 110.043 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.73 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 41.3 m95 -69.65 158.29 35.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 0.0 108.039 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . 0.579 HG22 ' H ' ' A' ' 450' ' ' ALA . 2.1 m -83.63 -171.16 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.365 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.579 ' H ' HG22 ' A' ' 449' ' ' THR . . . -80.67 100.15 8.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.589 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -63.99 132.07 95.15 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.347 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.658 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.1 Cg_endo -75.05 121.9 7.77 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.981 0.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.658 ' C ' ' O ' ' A' ' 452' ' ' PRO . . . -0.47 -118.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.751 ' CG1' HD11 ' A' ' 467' ' ' ILE . 0.3 OUTLIER -132.36 157.56 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 109.262 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -78.84 106.07 10.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 0.899 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -42.18 120.85 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.94 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 466' ' ' LYS . 41.6 mm-40 -52.68 174.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.52 133.83 34.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.84 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -113.74 108.04 16.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' A' ' 461' ' ' ILE . 10.6 pt-20 -63.25 -18.77 63.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.547 ' O ' ' CB ' ' A' ' 462' ' ' SER . 1.0 OUTLIER -29.66 -47.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.2 m 155.73 60.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 77.98 47.6 8.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.84 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 4.2 m-85 -125.14 177.33 6.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.899 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -122.96 144.91 48.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.836 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 50.9 mtpt -125.01 146.28 49.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 0.868 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.5 tp -151.28 128.89 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . 0.784 HG23 ' OG1' ' A' ' 427' ' ' THR . 3.4 m -125.0 121.24 33.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 1.002 HG11 ' CE1' ' A' ' 441' ' ' TYR . 15.0 t -130.9 140.48 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' ' 425' ' ' LYS . 3.2 t70 -89.97 146.75 24.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.971 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 7.3 pt -116.21 -14.38 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 74.01 -101.42 1.22 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.7 -12.83 18.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.803 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 0.971 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -52.71 124.58 14.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 1.4 t -74.19 -15.61 61.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.003 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -156.77 163.28 39.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.271 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.86 134.98 32.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.467 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 0.5 OUTLIER -102.02 129.26 48.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.532 ' CB ' ' HA ' ' A' ' 441' ' ' TYR . . . -147.69 162.02 40.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . 0.45 ' O ' ' CD1' ' A' ' 439' ' ' ILE . . . -138.67 168.7 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.605 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.7 t80 -110.49 146.67 35.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.518 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 3.6 p30 -162.17 146.85 12.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.557 ' OD2' ' CZ ' ' A' ' 434' ' ' PHE . 30.7 p30 -89.4 30.45 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.56 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 38.59 28.67 0.06 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 483' ' ' ASP . 0.2 OUTLIER -122.43 -47.82 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 109.276 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 171.4 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . 0.422 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 42.2 m-80 -75.38 111.76 10.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . 0.428 ' CD1' ' HB2' ' A' ' 482' ' ' ASN . 11.9 m0 -113.57 167.56 10.5 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . 0.419 ' CG ' ' OH ' ' A' ' 505' ' ' TYR . 11.9 t0 -148.51 107.32 3.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 492' ' ' ASN . 1.7 p -131.47 175.6 9.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.445 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 61.2 t30 -38.14 -29.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.5 m-20 160.46 -23.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 2.5 t 178.61 29.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.403 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 10.0 mttt -146.43 -71.59 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 0.486 ' CB ' ' O ' ' A' ' 494' ' ' LYS . 6.5 p-10 156.76 167.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 1.046 ' CD1' HD11 ' A' ' 516' ' ' ILE . 84.3 m-85 -94.46 156.98 16.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 28.3 t -120.0 136.37 54.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -134.22 140.75 46.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.526 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -99.14 151.16 21.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.028 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.869 HG22 HD11 ' A' ' 471' ' ' ILE . 23.9 p -27.75 140.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.438 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 122.57 -150.67 16.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.545 1.153 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.919 HG23 ' HB ' ' A' ' 427' ' ' THR . 10.4 m -127.98 136.59 51.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 110.422 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.87 147.53 52.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.96 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.423 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 8.5 m -108.26 138.77 43.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . 0.419 ' OH ' ' CG ' ' A' ' 489' ' ' ASP . 11.9 t80 -120.8 125.56 47.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.755 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.8 m -131.86 147.03 64.29 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.486 1.116 . . . . 0.0 110.444 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . 0.755 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo -74.98 144.36 30.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.772 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.546 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -92.48 -138.8 8.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.423 1.077 . . . . 0.0 110.989 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . 0.546 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 4.0 p30 152.58 105.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 512' ' ' ASN . 3.3 m 64.1 111.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 77.24 -40.38 1.72 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 510' ' ' SER . 5.8 m-80 -87.33 160.92 18.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -160.76 97.54 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 50.43 101.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.15 140.43 29.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 110.399 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 1.046 HD11 ' CD1' ' A' ' 496' ' ' TYR . 4.8 mt -123.5 137.91 55.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . 0.423 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.1 OUTLIER -128.57 161.34 29.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.422 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 6.2 m -104.56 92.26 4.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.944 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 127.0 131.99 3.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.512 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -60.12 155.17 46.64 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.77 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 150.93 38.97 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.502 1.79 . . . . 0.0 110.985 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -111.42 56.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -47.09 175.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 422' ' ' THR . 4.7 t -167.22 103.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 0.773 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 160.65 81.23 0.04 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.409 ' H ' ' CA ' ' A' ' 472' ' ' GLY . 12.8 m120 -123.78 156.22 36.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.18 139.14 52.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.653 HG11 HD12 ' A' ' 477' ' ' LEU . 29.1 t -129.17 128.49 66.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 0.79 ' HB ' HG23 ' A' ' 502' ' ' THR . 88.3 m -117.81 133.58 55.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.5 mt -131.36 121.91 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.702 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 14.1 m-30 -113.09 114.4 26.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.587 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 28.3 t80 -107.9 139.86 41.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 464' ' ' TYR . 9.8 tttt -63.0 140.21 58.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.6 ttmm -76.26 105.2 7.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -123.15 13.27 8.45 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.554 1.159 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.595 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 32.5 m-85 -145.59 -64.1 0.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 0.755 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.595 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 7.8 p-10 148.34 -54.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.476 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 24.4 p -137.93 61.06 26.51 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.476 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.1 Cg_endo -75.02 146.23 32.31 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.506 1.793 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.57 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 56.0 m-85 -94.19 148.83 21.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.531 HD13 ' N ' ' A' ' 440' ' ' HIS . 0.1 OUTLIER -131.63 119.47 42.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.578 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 5.2 t60 -93.44 125.8 38.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.605 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 1.073 ' CE1' HG11 ' A' ' 469' ' ' VAL . 8.7 p90 -133.98 153.13 51.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.499 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.3 ttt180 -156.38 126.26 3.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 134.44 17.79 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.7 99.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.39 2.98 29.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -107.02 -149.39 15.86 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.97 157.63 40.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.578 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 50.5 m95 -73.18 156.88 38.14 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . 0.481 HG22 ' H ' ' A' ' 450' ' ' ALA . 1.3 m -83.6 -174.24 5.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.374 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.481 ' H ' HG22 ' A' ' 449' ' ' THR . . . -76.85 97.72 4.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.658 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -62.36 137.79 96.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.659 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.0 119.52 6.02 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.026 -0.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.659 ' C ' ' O ' ' A' ' 452' ' ' PRO . . . 8.37 -126.92 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 8.0 p -133.92 150.74 31.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . 0.452 ' O ' ' NE2' ' A' ' 457' ' ' GLN . 2.5 ttmt -69.89 111.34 5.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 0.989 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 24.8 mtm -50.84 126.83 16.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 455' ' ' LYS . 35.1 mm-40 -53.91 174.4 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.251 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.36 131.89 35.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.88 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -108.57 117.11 33.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.536 ' O ' ' C ' ' A' ' 461' ' ' ILE . 11.3 pt-20 -67.52 -19.7 65.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.557 ' O ' ' CB ' ' A' ' 462' ' ' SER . 0.9 OUTLIER -29.58 -45.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.3 m 154.29 58.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 78.34 52.45 5.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.517 1.136 . . . . 0.0 111.053 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.659 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 1.9 m-85 -126.96 -178.13 4.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 111.018 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.989 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -125.06 146.06 49.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.88 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 47.4 mtpt -130.21 143.76 50.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 0.98 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.2 tp -151.0 130.63 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . 0.783 HG23 ' OG1' ' A' ' 427' ' ' THR . 5.3 m -127.28 121.78 32.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.41 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 1.073 HG11 ' CE1' ' A' ' 441' ' ' TYR . 4.2 t -132.24 137.68 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 472' ' ' GLY . 4.4 t70 -82.51 146.48 29.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.611 HD11 HG22 ' A' ' 500' ' ' THR . 16.7 pt -125.79 7.83 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.678 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -26.09 116.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.039 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.678 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 4.7 t 102.02 -12.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.977 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 0.479 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -114.74 130.1 56.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.42 -11.84 59.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.029 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -154.75 161.37 41.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.952 HD22 ' N ' ' A' ' 478' ' ' GLU . 0.0 OUTLIER -132.46 142.07 49.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.952 ' N ' HD22 ' A' ' 477' ' ' LEU . 0.5 OUTLIER -115.18 128.93 56.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.572 ' HA ' ' O ' ' A' ' 440' ' ' HIS . . . -147.23 163.54 36.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . 0.808 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -138.03 168.43 19.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.587 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.3 t80 -109.4 145.12 36.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 111.019 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.606 ' OD1' ' CE3' ' A' ' 488' ' ' TRP . 0.4 OUTLIER -162.17 138.75 7.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.527 ' CB ' ' CE2' ' A' ' 434' ' ' PHE . 18.1 p-10 -80.14 -10.02 59.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.57 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 83.0 -13.53 43.63 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . 0.551 ' O ' ' CB ' ' A' ' 486' ' ' ASN . 0.8 OUTLIER -77.87 -31.21 51.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 485' ' ' ASN . 0.9 OUTLIER 152.49 -18.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.261 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . 0.452 ' ND2' ' OD2' ' A' ' 483' ' ' ASP . 19.5 m-80 -83.23 113.21 20.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . 0.606 ' CE3' ' OD1' ' A' ' 482' ' ' ASN . 14.0 m95 -113.43 170.05 8.52 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 481' ' ' PHE . 0.1 OUTLIER -149.83 108.37 3.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 492' ' ' ASN . 59.7 p -129.44 178.98 6.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.017 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.574 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 22.7 t30 -67.76 58.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.576 ' O ' ' HB ' ' A' ' 493' ' ' THR . 4.8 t-20 89.17 -36.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.576 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 0.9 OUTLIER 168.55 39.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.476 ' O ' ' ND2' ' A' ' 495' ' ' ASN . 0.0 OUTLIER -143.53 -74.82 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 0.808 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 1.2 m-80 160.06 156.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 0.783 ' CD1' HD11 ' A' ' 516' ' ' ILE . 61.2 m-85 -85.17 151.6 23.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 15.3 t -115.15 133.97 55.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . 0.611 ' N ' ' CD1' ' A' ' 498' ' ' PHE . 0.6 OUTLIER -135.19 143.19 46.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.55 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -99.61 145.46 27.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.015 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.611 HG22 HD11 ' A' ' 471' ' ' ILE . 45.4 p -26.62 139.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 125.5 -144.95 15.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.459 1.099 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.79 HG23 ' HB ' ' A' ' 427' ' ' THR . 10.0 m -129.75 137.96 50.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.413 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.7 p -133.03 148.75 52.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.004 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.415 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 5.1 m -108.09 139.0 43.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.438 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 2.1 t80 -123.06 123.67 41.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.692 HG23 ' HD2' ' A' ' 507' ' ' PRO . 4.0 m -130.46 146.05 60.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.397 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . 0.692 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.4 Cg_endo -74.97 145.15 31.22 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 512' ' ' ASN . . . -92.01 -130.26 5.0 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 164.88 85.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 0.75 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.8 -81.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.002 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -57.11 -21.86 40.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . 0.403 ' CB ' ' HA3' ' A' ' 508' ' ' GLY . 2.2 m-80 -117.52 160.99 20.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -149.89 92.43 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 49.06 100.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.552 1.158 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.84 139.74 30.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 0.783 HD11 ' CD1' ' A' ' 496' ' ' TYR . 3.1 mt -123.43 139.57 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . 0.415 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.0 OUTLIER -128.55 162.3 27.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 13.6 p -108.01 92.94 4.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.032 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 126.88 133.45 3.82 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.07 153.33 46.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.558 0.799 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 150.98 39.0 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.476 1.777 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -114.82 59.83 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 107.89 130.71 6.36 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . 0.403 ' HG1' ' CG ' ' A' ' 470' ' ' ASP . 8.7 t -87.43 169.36 12.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.403 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . 0.484 ' N ' ' HA2' ' A' ' 472' ' ' GLY . . . 162.66 -69.78 0.22 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.503 ' HB3' HG22 ' A' ' 500' ' ' THR . 17.9 m120 -86.55 152.92 22.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 146.7 50.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.501 HG11 HD12 ' A' ' 477' ' ' LEU . 13.6 t -132.05 124.21 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 0.794 ' HB ' HG23 ' A' ' 502' ' ' THR . 88.1 m -111.89 135.09 52.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.444 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.2 mp -132.12 122.66 49.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.696 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.3 m-30 -114.33 111.32 21.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.652 ' CE1' ' O ' ' A' ' 431' ' ' LYS . 0.1 OUTLIER -107.18 139.18 42.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.652 ' O ' ' CE1' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -62.65 139.98 58.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 1.4 ttmm -72.86 114.67 11.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -124.43 1.36 8.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 483' ' ' ASP . 1.0 OUTLIER -135.68 -68.25 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 111.016 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.5 p30 152.97 -29.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 97.5 p -164.24 60.4 0.81 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.054 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.553 ' HG2' ' CE1' ' A' ' 430' ' ' TYR . 18.3 Cg_endo -74.97 160.5 40.18 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.572 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 27.8 m-85 -104.97 150.87 24.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.644 HG21 HG21 ' A' ' 467' ' ' ILE . 0.3 OUTLIER -131.5 118.98 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.481 ' CD2' ' H ' ' A' ' 449' ' ' THR . 1.8 t-160 -92.27 123.55 35.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 109.61 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.937 ' CD1' HG11 ' A' ' 469' ' ' VAL . 7.1 p90 -125.95 151.13 47.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.107 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.538 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.0 ttt180 -152.23 122.84 3.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.33 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.1 Cg_endo -75.03 134.08 17.33 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.55 1.816 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -52.94 98.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.85 4.22 28.02 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -108.98 -150.91 14.25 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.5 156.79 38.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.538 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 33.8 m95 -71.06 160.02 33.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 107.985 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . 0.481 ' H ' ' CD2' ' A' ' 440' ' ' HIS . 0.2 OUTLIER -82.24 -178.91 7.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.418 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -78.84 99.43 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.66 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -57.32 140.19 79.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.62 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.0 120.01 6.36 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.017 -0.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.66 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.81 -129.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.552 HG11 ' HE2' ' A' ' 441' ' ' TYR . 10.2 p -132.6 139.76 49.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -60.1 121.37 11.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 0.9 ' HA ' HD13 ' A' ' 467' ' ' ILE . 34.7 mtp -70.91 138.06 49.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.24 174.32 5.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 110.265 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.82 135.28 35.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.868 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -111.0 106.24 15.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.495 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.1 pt-20 -60.92 -13.38 15.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.571 ' O ' ' CB ' ' A' ' 462' ' ' SER . 3.6 mm -32.84 -46.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 153.72 44.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.936 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.13 48.34 2.26 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.859 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.6 m-85 -129.24 -177.2 4.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 0.794 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.812 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -125.15 150.27 47.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.868 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 47.5 mtpt -129.47 148.45 51.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 0.9 HD13 ' HA ' ' A' ' 456' ' ' MET . 4.9 tp -150.6 129.36 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . 0.425 HG23 ' OG1' ' A' ' 427' ' ' THR . 1.8 m -121.35 119.26 31.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.937 HG11 ' CD1' ' A' ' 441' ' ' TYR . 25.5 t -129.84 128.67 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 472' ' ' GLY . 2.9 t70 -83.71 146.64 28.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.831 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 9.2 pt -120.3 -10.26 10.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.484 ' HA2' ' N ' ' A' ' 423' ' ' GLY . . . 72.87 -100.36 1.01 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.73 -13.99 15.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 0.831 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -40.05 130.83 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.61 -22.02 60.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -157.41 163.25 38.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.982 ' C ' HD13 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -136.83 141.33 42.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.614 ' N ' HD22 ' A' ' 477' ' ' LEU . 0.2 OUTLIER -97.98 142.54 29.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.717 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -134.0 156.17 48.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . 0.685 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -145.63 146.81 31.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.521 ' CE1' ' CE2' ' A' ' 430' ' ' TYR . 4.1 t80 -109.76 138.86 45.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 438' ' ' TYR . 2.2 p30 -162.93 135.3 5.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.558 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 17.8 p-10 -71.1 -6.77 41.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.572 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 83.21 -16.29 29.5 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.94 -82.06 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 0.763 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -156.96 18.11 0.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . 0.429 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 52.0 m-80 -120.48 118.34 30.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -115.12 172.93 6.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 108.036 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 481' ' ' PHE . 0.2 OUTLIER -163.44 92.13 0.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.694 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -134.04 119.35 18.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.976 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.577 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 10.3 t-20 30.33 42.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.577 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 5.6 t-20 87.98 -44.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.694 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.9 t 178.19 39.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 110.459 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 2.5 mttt -140.34 -74.16 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 0.685 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 1.3 m-20 160.28 139.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 0.717 ' CE1' HD11 ' A' ' 516' ' ' ILE . 33.1 m-85 -83.4 158.5 22.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 32.7 t -131.91 128.14 37.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.047 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . 0.806 ' CE1' HG21 ' A' ' 516' ' ' ILE . 5.7 m-85 -132.99 151.24 52.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -100.24 149.73 23.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.002 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.773 ' CG2' HD11 ' A' ' 471' ' ' ILE . 34.2 p -27.35 140.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 129.0 -148.3 18.06 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.494 1.121 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.794 HG23 ' HB ' ' A' ' 427' ' ' THR . 18.1 m -127.49 138.16 52.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.367 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.3 p -136.16 149.42 48.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . . . . . . . . . 2.9 m -115.64 138.86 50.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 13.8 t80 -119.63 126.45 51.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.787 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.4 m -127.89 147.32 62.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . 0.787 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.4 Cg_endo -74.99 144.31 30.13 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.518 1.799 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.476 ' HA3' ' CB ' ' A' ' 512' ' ' ASN . . . -95.48 -131.93 6.77 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . 0.457 ' O ' ' ND2' ' A' ' 509' ' ' ASN . 3.7 t30 165.86 97.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 0.778 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.08 -86.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -57.29 -33.6 65.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . 0.476 ' CB ' ' HA3' ' A' ' 508' ' ' GLY . 26.4 m120 -100.35 160.48 14.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -154.9 97.2 1.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 43.95 95.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.18 138.14 31.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.37 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 0.806 HG21 ' CE1' ' A' ' 498' ' ' PHE . 2.0 mt -124.04 139.61 49.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -129.49 162.23 28.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.4 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 2.6 m -106.39 94.08 4.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 132.37 134.78 3.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.25 156.03 31.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . 0.549 ' HG2' HG21 ' A' ' 461' ' ' ILE . 18.2 Cg_endo -75.01 150.12 37.66 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -115.43 57.69 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -146.75 150.62 22.91 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 1.4 t -113.47 -37.57 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.426 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 92.97 81.94 1.5 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.49 ' HB3' HG22 ' A' ' 500' ' ' THR . 24.2 m120 -108.37 157.97 17.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.567 ' HD2' HG22 ' A' ' 468' ' ' THR . 3.8 tppt? -128.08 142.56 51.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 500' ' ' THR . 13.5 t -129.15 124.76 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 0.932 ' HB ' HG23 ' A' ' 502' ' ' THR . 23.8 m -113.69 136.15 53.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.389 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . 0.646 HG21 HD11 ' A' ' 439' ' ' ILE . 5.4 mt -132.76 122.85 47.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.719 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 17.5 m-30 -115.14 110.77 20.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.642 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 5.1 t80 -107.91 140.24 41.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.542 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.0 OUTLIER -64.85 140.62 58.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.5 ttmm -74.46 118.5 17.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.83 1.34 6.82 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 483' ' ' ASP . 0.2 OUTLIER -134.51 -68.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.535 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.6 p30 152.54 -32.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.501 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 79.1 p -157.06 59.72 1.89 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.054 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.501 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.96 152.56 41.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.542 1.811 . . . . 0.0 111.064 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.545 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 32.9 m-85 -101.99 146.21 28.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.656 HG21 HG21 ' A' ' 467' ' ' ILE . 7.3 tt -123.49 117.32 50.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.844 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 47.8 t60 -94.04 117.22 29.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.625 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 1.014 ' CE1' HG11 ' A' ' 469' ' ' VAL . 10.4 p90 -130.19 153.89 48.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.588 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 2.9 ttt180 -151.42 123.71 4.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.12 17.42 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.463 1.77 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 474' ' ' ALA . . . -53.25 99.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 110.39 4.82 28.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.125 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -110.69 -151.88 12.77 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.56 156.35 39.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.977 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.844 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 35.1 m95 -68.48 164.44 21.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.023 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.49 177.48 7.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -74.03 94.24 2.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.649 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -54.96 139.19 63.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.599 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.97 120.17 6.46 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.004 -0.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.649 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.95 -133.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.842 HG11 HD11 ' A' ' 467' ' ' ILE . 2.6 p -132.26 135.76 57.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -57.24 109.24 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 0.817 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -52.9 124.93 15.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 466' ' ' LYS . 6.8 mm100 -51.3 174.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.45 134.02 34.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.881 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -113.8 103.37 11.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.545 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.1 pt-20 -60.08 -15.5 23.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.567 ' O ' ' CB ' ' A' ' 462' ' ' SER . 5.2 mm -28.95 -47.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.567 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.3 m 153.85 44.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.49 47.48 2.15 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.469 1.105 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.881 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 4.0 m-85 -128.73 177.06 7.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.817 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -122.31 147.72 45.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.853 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 54.2 mtpt -130.32 144.0 51.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 0.842 HD11 HG11 ' A' ' 454' ' ' VAL . 0.2 OUTLIER -150.55 130.06 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . 0.731 HG23 ' OG1' ' A' ' 427' ' ' THR . 5.2 m -123.77 127.84 48.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 1.014 HG11 ' CE1' ' A' ' 441' ' ' TYR . 4.4 t -133.18 136.37 55.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -85.36 145.48 27.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.859 HD11 ' CG2' ' A' ' 500' ' ' THR . 8.4 pt -129.33 24.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.648 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -48.28 83.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.648 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.9 m 147.1 -15.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 0.792 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 444' ' ' ALA . . . -125.9 141.26 52.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.113 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 15.2 m -88.75 1.84 54.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.14 . . . . 0.0 110.04 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . 0.451 ' NE2' ' OG ' ' A' ' 497' ' ' SER . 2.5 tm0? -155.36 146.79 22.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 110.345 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.958 ' C ' HD13 ' A' ' 477' ' ' LEU . 0.1 OUTLIER -131.7 141.68 49.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.563 ' N ' HD13 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -99.35 145.32 27.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.217 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.624 ' HB3' ' CE2' ' A' ' 498' ' ' PHE . . . -140.04 158.23 44.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . 0.764 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -151.06 151.22 31.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.642 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.3 t80 -110.81 139.87 45.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.501 ' HB3' ' CD2' ' A' ' 488' ' ' TRP . 0.4 OUTLIER -161.41 144.05 12.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.55 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 30.0 p-10 -91.12 31.93 1.07 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.545 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 37.13 30.58 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 483' ' ' ASP . 0.3 OUTLIER -124.6 -74.35 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 109.314 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -152.4 -27.89 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . 0.434 ' O ' ' HA ' ' A' ' 482' ' ' ASN . 22.0 m-80 -75.32 112.37 11.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.233 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . 0.501 ' CD2' ' HB3' ' A' ' 482' ' ' ASN . 51.1 m95 -123.1 97.03 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 107.993 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . 0.49 ' HB2' ' CD2' ' A' ' 481' ' ' PHE . 0.9 OUTLIER -80.32 114.37 19.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 492' ' ' ASN . 83.0 p -133.06 177.74 7.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.586 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 27.1 t30 -68.32 57.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.267 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.621 ' O ' ' HB ' ' A' ' 493' ' ' THR . 7.0 t-20 90.32 -35.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.621 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 0.6 OUTLIER 163.22 40.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 8.6 mttm -144.78 -68.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 0.764 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 9.3 m-20 152.31 155.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 0.905 ' CD1' HD11 ' A' ' 516' ' ' ILE . 65.8 m-85 -86.48 157.24 19.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . 0.539 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 1.5 t -131.3 137.25 48.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.977 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . 1.019 ' CE1' HG21 ' A' ' 516' ' ' ILE . 9.9 m-85 -142.17 141.97 32.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.549 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -90.44 149.92 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.859 ' CG2' HD11 ' A' ' 471' ' ' ILE . 22.2 p -26.54 138.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.389 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 130.0 -148.4 18.47 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.932 HG23 ' HB ' ' A' ' 427' ' ' THR . 5.9 m -128.18 137.9 52.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 5.1 p -133.86 148.73 51.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.419 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 3.9 m -110.74 139.27 46.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 110.422 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 20.4 t80 -121.32 125.31 46.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.81 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.2 m -130.65 147.8 67.52 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . 0.81 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo -74.98 144.96 30.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.467 1.772 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 512' ' ' ASN . . . -90.88 -133.93 5.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 168.14 87.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.76 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.47 -89.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.012 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -53.69 -35.15 51.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . 0.485 ' HB2' ' CA ' ' A' ' 508' ' ' GLY . 4.4 m120 -97.86 160.41 14.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 0.748 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -152.57 94.81 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 47.53 98.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.84 138.49 31.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 0.798 . . . . 0.0 110.379 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 1.019 HG21 ' CE1' ' A' ' 498' ' ' PHE . 2.5 mt -123.39 138.19 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . 0.419 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.3 OUTLIER -128.49 162.11 27.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 5.1 m -105.41 93.43 4.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 128.68 132.08 3.49 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.34 155.84 33.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.275 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.63 37.02 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -115.63 58.74 0.72 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -177.29 63.11 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 2.9 m -129.91 121.44 26.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.343 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -152.36 -73.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.542 ' HB3' HG22 ' A' ' 500' ' ' THR . 3.1 m-80 -129.72 163.47 26.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -123.4 152.18 41.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.516 HG11 HD12 ' A' ' 477' ' ' LEU . 39.3 t -127.05 132.81 69.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 0.839 ' HB ' HG23 ' A' ' 502' ' ' THR . 53.0 m -122.25 132.5 54.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.427 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . 0.568 HG21 HD11 ' A' ' 439' ' ' ILE . 1.6 mt -132.21 123.19 50.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.708 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.5 m-30 -114.37 110.82 20.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.611 ' CE2' ' O ' ' A' ' 431' ' ' LYS . 16.5 t80 -105.59 139.01 40.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.042 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.611 ' O ' ' CE2' ' A' ' 430' ' ' TYR . 0.0 OUTLIER -64.98 139.52 58.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 0.4 OUTLIER -73.9 112.05 9.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -121.19 0.04 11.52 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 483' ' ' ASP . 0.7 OUTLIER -134.28 -69.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 111.033 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.508 ' ND2' ' N ' ' A' ' 436' ' ' SER . 0.8 OUTLIER 155.18 -41.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.508 ' N ' ' ND2' ' A' ' 435' ' ' ASN . 28.8 t -147.71 60.03 5.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.4 Cg_endo -74.97 153.25 41.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 9.8 m-30 -103.25 149.69 24.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.568 HD11 HG21 ' A' ' 428' ' ' ILE . 3.7 tt -132.46 118.09 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.546 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 1.9 t-160 -92.93 121.8 34.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.572 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.915 ' CE1' HG11 ' A' ' 469' ' ' VAL . 7.2 p90 -124.65 151.24 45.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.586 ' O ' HD22 ' A' ' 477' ' ' LEU . 2.4 ttt180 -152.2 121.29 3.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.97 18.47 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.533 1.807 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -52.21 104.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 104.95 6.46 39.94 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.498 1.123 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -110.21 -150.2 12.66 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.88 154.54 46.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.53 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 36.6 m95 -69.05 157.2 37.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . 0.488 HG22 ' H ' ' A' ' 450' ' ' ALA . 1.4 m -77.6 -175.81 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.488 ' H ' HG22 ' A' ' 449' ' ' THR . . . -77.8 95.54 4.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.65 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -55.23 139.26 65.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.607 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.94 120.37 6.58 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.977 -2.509 . . . . 0.0 111.028 -0.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.65 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 17.79 -137.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.624 HG11 ' HE2' ' A' ' 441' ' ' TYR . 9.9 p -133.28 141.71 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 109.259 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.72 132.56 52.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 0.715 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -76.93 127.88 33.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 466' ' ' LYS . 14.7 mm-40 -53.9 175.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.3 135.09 33.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.887 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -114.84 103.45 10.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.1 pt-20 -61.43 -14.11 25.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.531 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.1 mm -29.95 -48.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 156.88 43.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.16 48.16 2.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.887 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 6.1 m-85 -129.99 173.6 10.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.715 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -116.64 150.47 38.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.853 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 54.8 mtpt -130.08 146.13 51.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.254 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 0.493 HG21 HD13 ' A' ' 439' ' ' ILE . 0.0 OUTLIER -149.48 128.43 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . 0.513 HG23 ' OG1' ' A' ' 427' ' ' THR . 2.5 m -123.99 123.89 41.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.915 HG11 ' CE1' ' A' ' 441' ' ' TYR . 5.6 t -134.63 137.68 50.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -85.55 146.33 26.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.846 HD11 ' CG2' ' A' ' 500' ' ' THR . 7.7 pt -123.31 -0.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.649 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -17.51 114.08 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.489 1.118 . . . . 0.0 110.954 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.649 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.5 t 99.15 -9.34 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 0.775 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 0.605 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -114.27 135.09 54.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.53 -10.98 57.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -154.87 163.78 39.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.976 ' C ' HD13 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -142.73 141.12 31.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.579 ' N ' HD22 ' A' ' 477' ' ' LEU . 0.4 OUTLIER -96.63 147.56 23.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.847 ' HB3' ' CE1' ' A' ' 498' ' ' PHE . . . -137.91 155.88 48.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . 1.011 ' HB2' ' OD1' ' A' ' 495' ' ' ASN . . . -145.06 148.71 33.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.576 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 4.9 t80 -110.27 145.45 37.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.571 ' OD1' ' CE3' ' A' ' 488' ' ' TRP . 0.4 OUTLIER -161.3 136.63 7.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.567 ' HB3' ' CE1' ' A' ' 434' ' ' PHE . 4.7 p-10 -75.3 -6.65 50.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.448 ' HA2' ' CD2' ' A' ' 438' ' ' TYR . . . 85.07 -12.55 57.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -80.05 -83.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.01 17.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . 0.405 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 11.2 m-80 -119.61 119.26 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . 0.571 ' CE3' ' OD1' ' A' ' 482' ' ' ASN . 9.8 m95 -112.6 176.51 4.99 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 481' ' ' PHE . 0.1 OUTLIER -149.92 108.76 3.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 492' ' ' ASN . 9.9 p -124.37 178.71 5.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.578 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 28.7 t30 -67.14 59.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.578 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 47.4 t30 89.41 -38.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.523 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 1.3 t 174.13 36.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 110.404 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.427 ' N ' ' OG ' ' A' ' 490' ' ' SER . 45.6 mttt -144.76 -78.03 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 1.011 ' OD1' ' HB2' ' A' ' 480' ' ' ALA . 0.6 OUTLIER 163.23 149.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 0.926 ' CD1' HD11 ' A' ' 516' ' ' ILE . 71.0 m-85 -77.33 155.35 32.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . 0.462 ' C ' ' CD1' ' A' ' 498' ' ' PHE . 17.2 t -125.91 138.23 53.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.979 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . 0.847 ' CE1' ' HB3' ' A' ' 479' ' ' ALA . 0.5 OUTLIER -140.78 140.04 34.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.564 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -92.93 147.29 22.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.988 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.846 ' CG2' HD11 ' A' ' 471' ' ' ILE . 32.2 p -25.21 136.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 130.02 -147.47 18.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.839 HG23 ' HB ' ' A' ' 427' ' ' THR . 7.4 m -129.61 138.32 51.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 0.775 . . . . 0.0 110.39 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 59.7 p -135.32 149.6 49.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.058 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.447 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 5.2 m -108.42 138.91 43.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' A' ' 430' ' ' TYR . 2.4 t80 -118.63 124.29 47.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.843 HG23 ' HD2' ' A' ' 507' ' ' PRO . 1.6 m -132.79 148.42 69.44 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . 0.843 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo -75.03 144.65 30.41 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.506 ' O ' ' ND2' ' A' ' 509' ' ' ASN . . . -105.26 -137.66 9.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 508' ' ' GLY . 0.4 OUTLIER 155.58 169.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' A' ' 511' ' ' GLY . 96.3 p 56.47 -96.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . 0.498 ' N ' ' OG ' ' A' ' 510' ' ' SER . . . -102.56 -8.68 42.74 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -105.12 161.96 13.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.368 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -171.04 102.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 71.17 91.22 0.09 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.444 1.09 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 506' ' ' THR . 0.8 OUTLIER -94.15 141.97 27.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.421 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 0.926 HD11 ' CD1' ' A' ' 496' ' ' TYR . 2.7 mt -122.36 139.36 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . 0.447 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.0 OUTLIER -129.66 161.57 30.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.415 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 12.4 m -105.82 93.63 4.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 124.0 133.99 4.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.535 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -58.73 156.31 25.25 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 149.29 36.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.519 1.8 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -108.91 54.4 0.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 111.026 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 158.06 -146.39 13.28 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 2.9 m -54.24 127.97 29.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 110.395 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . 0.417 ' HA3' ' CA ' ' A' ' 472' ' ' GLY . . . -119.53 -90.56 1.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.494 ' CG ' HG21 ' A' ' 500' ' ' THR . 15.5 m-80 -115.26 162.93 16.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 0.763 . . . . 0.0 109.314 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.35 144.81 51.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.516 HG11 HD23 ' A' ' 477' ' ' LEU . 14.0 t -128.78 124.98 62.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 0.922 ' HB ' HG23 ' A' ' 502' ' ' THR . 97.8 m -115.24 135.47 54.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.432 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.2 mp -133.22 123.27 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.649 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.9 m-30 -114.17 111.29 21.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.597 ' CE1' ' O ' ' A' ' 431' ' ' LYS . 1.3 t80 -107.79 140.64 40.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.597 ' O ' ' CE1' ' A' ' 430' ' ' TYR . 12.4 tmtt? -63.9 140.96 58.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.9 ttmm -78.7 107.48 11.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -122.91 9.61 9.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.645 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 14.2 m-85 -138.87 -59.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 0.748 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.645 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 1.3 t-20 143.98 -56.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.487 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 3.2 m -135.33 60.35 38.08 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.487 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.1 Cg_endo -75.03 151.2 39.11 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.779 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.586 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 7.6 m-85 -102.48 152.42 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.175 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.51 ' CG2' HG12 ' A' ' 467' ' ' ILE . 0.0 OUTLIER -133.96 124.41 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.677 ' O ' ' HB1' ' A' ' 479' ' ' ALA . 1.9 t-160 -92.87 140.84 29.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.598 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.974 ' CD1' HG11 ' A' ' 469' ' ' VAL . 10.2 p90 -144.56 151.69 39.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.701 ' C ' HD12 ' A' ' 477' ' ' LEU . 1.0 OUTLIER -157.3 123.96 2.58 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.76 15.87 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . 0.68 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -52.08 105.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 109.69 -0.61 30.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -102.74 -139.68 10.58 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -139.94 155.26 47.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.987 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.592 ' CZ3' ' HB3' ' A' ' 442' ' ' ARG . 49.0 m95 -68.56 157.28 36.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 108.044 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . 0.818 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.6 OUTLIER -89.28 159.55 17.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.399 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -59.6 94.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.443 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -55.53 128.0 67.32 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.605 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.93 138.33 55.45 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.043 -2.482 . . . . 0.0 111.016 -0.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.605 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -35.9 -103.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 13.0 p -130.83 152.46 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.751 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -78.06 120.0 22.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 0.878 ' HA ' HD13 ' A' ' 467' ' ' ILE . 0.0 OUTLIER -52.75 117.55 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.053 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 1.7 mt-30 -52.64 174.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.62 135.65 35.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.862 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -113.96 104.92 12.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 461' ' ' ILE . 17.3 pt-20 -60.36 -14.27 17.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.554 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.8 mm -31.14 -47.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.9 OUTLIER 155.22 44.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 97.17 47.09 2.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.862 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.5 m-85 -127.71 -176.98 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.754 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.837 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -127.11 147.17 50.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.839 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 47.2 mtpt -127.04 148.61 50.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 0.878 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.3 tp -150.3 133.0 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . 0.565 HG23 ' OG1' ' A' ' 427' ' ' THR . 2.5 m -126.4 123.41 37.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.974 HG11 ' CD1' ' A' ' 441' ' ' TYR . 3.4 t -131.85 134.82 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -85.17 146.05 27.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.872 HD11 ' CG2' ' A' ' 500' ' ' THR . 10.9 pt -132.12 23.65 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.658 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -48.53 83.22 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.658 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.9 m 146.13 -14.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 0.68 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -124.22 132.57 53.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.85 -7.58 53.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . 0.416 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 5.1 mt-30 -152.73 161.47 42.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.701 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -137.23 131.65 32.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 496' ' ' TYR . 1.3 tt0 -101.24 125.4 47.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.677 ' HB1' ' O ' ' A' ' 440' ' ' HIS . . . -135.08 161.89 34.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -132.84 166.37 22.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 482' ' ' ASN . 5.2 t80 -111.32 141.55 44.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.518 ' HB3' ' CD2' ' A' ' 488' ' ' TRP . 0.4 OUTLIER -160.43 141.95 12.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.559 ' HB3' ' CE2' ' A' ' 434' ' ' PHE . 7.2 p-10 -75.25 -22.72 57.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.586 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 106.04 -16.93 42.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.03 -84.51 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -155.63 18.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . 0.404 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 35.1 m-80 -117.82 120.01 36.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . 0.518 ' CD2' ' HB3' ' A' ' 482' ' ' ASN . 34.2 m95 -116.6 177.67 4.61 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 481' ' ' PHE . 0.1 OUTLIER -156.79 109.86 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 492' ' ' ASN . 2.7 p -132.66 176.49 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 46.5 t30 -38.56 -28.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.499 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.8 m-20 158.27 -22.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.475 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 1.7 t 178.19 27.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.382 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.468 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 13.0 mtpt -142.67 -73.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 494' ' ' LYS . 3.9 p30 158.42 -175.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 0.504 ' CB ' ' CZ ' ' A' ' 498' ' ' PHE . 28.5 m-85 -110.36 153.39 25.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 11.4 t -122.1 136.11 54.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . 0.728 ' HE2' HG21 ' A' ' 516' ' ' ILE . 3.2 m-85 -138.74 142.28 38.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.508 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -94.0 148.77 21.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.987 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.872 ' CG2' HD11 ' A' ' 471' ' ' ILE . 31.7 p -30.2 143.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.15 -144.31 15.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.436 1.085 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.922 HG23 ' HB ' ' A' ' 427' ' ' THR . 3.8 m -130.14 137.91 50.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 110.412 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.69 148.56 52.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.411 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 7.5 m -115.12 138.34 51.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.437 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . 0.515 ' CD2' HG12 ' A' ' 516' ' ' ILE . 18.0 t80 -122.63 121.3 36.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 2.9 m -124.28 135.29 26.28 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.442 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.51 29.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.501 1.79 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.576 ' HA3' ' HB3' ' A' ' 512' ' ' ASN . . . -91.66 -59.82 1.32 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . 0.538 ' N ' ' HB3' ' A' ' 512' ' ' ASN . 1.2 m120 152.44 -175.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 0.777 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.32 -85.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.018 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -57.29 -28.66 59.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . 0.576 ' HB3' ' HA3' ' A' ' 508' ' ' GLY . 0.6 OUTLIER -73.22 165.81 24.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.257 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -113.11 -136.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -126.63 121.13 3.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.575 1.172 . . . . 0.0 111.035 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.69 138.4 31.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 0.756 . . . . 0.0 110.414 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 0.728 HG21 ' HE2' ' A' ' 498' ' ' PHE . 4.0 mt -123.78 137.7 56.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . 0.411 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.8 OUTLIER -126.79 162.44 25.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.43 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 51.1 p -105.17 90.99 3.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 132.98 130.83 3.12 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.63 156.19 34.71 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 150.31 38.19 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -116.28 60.28 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 422' ' ' THR . . . 141.97 -45.97 0.91 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 421' ' ' GLY . 0.5 OUTLIER 60.16 142.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 0.778 . . . . 0.0 110.369 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . 172.76 -72.15 0.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.476 ' N ' ' HA2' ' A' ' 472' ' ' GLY . 3.3 m120 -127.06 156.74 41.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.71 142.46 50.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.471 HG11 HD23 ' A' ' 477' ' ' LEU . 13.0 t -126.55 121.58 59.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 0.905 ' HB ' HG23 ' A' ' 502' ' ' THR . 92.6 m -111.34 131.73 54.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.378 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -131.76 122.81 50.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.65 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 15.5 m-30 -113.88 115.41 27.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.632 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 1.4 t80 -107.51 139.62 41.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.54 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.7 OUTLIER -63.33 140.41 58.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.4 ttmm -77.99 113.2 15.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.81 11.66 6.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.573 1.17 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.563 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 1.1 m-85 -143.05 -65.81 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 0.771 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.563 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 5.1 p30 151.06 -41.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.47 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 90.4 p -149.13 61.47 5.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.956 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.05 147.51 33.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.445 1.761 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.577 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 38.2 m-85 -98.17 151.92 19.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.804 HD13 ' C ' ' A' ' 439' ' ' ILE . 0.0 OUTLIER -131.03 119.24 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.839 ' CD2' ' CE3' ' A' ' 448' ' ' TRP . 49.8 t60 -93.48 117.18 29.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.563 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 1.01 ' CE1' HG11 ' A' ' 469' ' ' VAL . 6.3 p90 -131.92 152.46 51.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.655 ' C ' HD12 ' A' ' 477' ' ' LEU . 2.5 ttp180 -150.27 127.07 5.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 132.74 15.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -55.0 98.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 117.62 -3.63 17.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -108.38 -145.78 11.76 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . 0.447 ' OG ' ' N ' ' A' ' 448' ' ' TRP . 12.4 t -124.28 -179.01 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 110.002 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.839 ' CE3' ' CD2' ' A' ' 440' ' ' HIS . 69.4 m95 -91.48 169.99 10.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 107.972 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . 0.671 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.7 OUTLIER -91.11 177.05 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.386 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.489 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -73.71 94.2 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.604 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -54.01 132.14 58.82 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.638 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.03 121.26 7.25 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.004 0.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.638 ' C ' ' O ' ' A' ' 452' ' ' PRO . . . 10.42 -126.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.44 1.088 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 439' ' ' ILE . 9.8 p -133.97 135.09 55.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . 0.463 ' HE3' ' CB ' ' A' ' 436' ' ' SER . 13.1 tttt -57.75 105.71 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 1.002 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -49.33 129.64 18.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -55.12 174.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.84 135.53 34.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.817 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -111.73 112.36 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.549 ' O ' ' C ' ' A' ' 461' ' ' ILE . 11.6 pt-20 -65.31 -20.38 66.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 462' ' ' SER . 0.9 OUTLIER -28.11 -46.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.0 OUTLIER 154.45 58.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 79.96 52.31 4.69 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.792 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.1 m-85 -130.05 -174.73 3.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 1.002 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -127.12 150.35 49.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.817 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 48.7 mtpt -130.47 147.13 52.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 0.996 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.2 tp -150.98 130.12 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . 0.602 HG23 ' OG1' ' A' ' 427' ' ' THR . 1.7 m -126.52 122.5 35.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 1.01 HG11 ' CE1' ' A' ' 441' ' ' TYR . 3.5 t -132.69 134.65 58.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -84.23 145.21 28.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.918 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 38.6 pt -123.86 -37.62 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.476 ' HA2' ' N ' ' A' ' 424' ' ' ASN . . . 36.17 -93.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -52.32 -14.45 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 0.918 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -106.3 127.31 53.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.75 -10.47 59.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' ' 499' ' ' SER . 5.2 mt-30 -154.17 162.56 41.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.655 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -138.85 127.59 23.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 13.7 tt0 -103.65 126.95 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.756 ' HB1' HD11 ' A' ' 439' ' ' ILE . . . -147.22 163.18 37.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . 0.695 ' HB2' ' CG ' ' A' ' 495' ' ' ASN . . . -134.77 169.33 17.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.632 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.0 OUTLIER -107.88 143.9 35.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.522 ' HB3' ' CD2' ' A' ' 488' ' ' TRP . 0.7 OUTLIER -160.03 135.93 8.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.485 ' HB3' ' CE1' ' A' ' 434' ' ' PHE . 11.6 p-10 -68.4 -13.1 62.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.577 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 91.61 -14.54 63.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.55 -84.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -153.35 16.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . 0.476 ' N ' HD22 ' A' ' 487' ' ' ASN . 2.0 m-80 -118.02 118.83 32.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . 0.522 ' CD2' ' HB3' ' A' ' 482' ' ' ASN . 24.9 m95 -119.54 175.69 5.72 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . 0.608 ' OD2' ' CD2' ' A' ' 481' ' ' PHE . 19.0 m-20 -156.18 103.71 2.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 492' ' ' ASN . 1.6 p -131.47 175.81 8.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.016 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 62.8 t30 -38.51 -28.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.5 m-80 159.37 -22.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.471 ' HB ' ' O ' ' A' ' 492' ' ' ASN . 1.6 t 177.54 29.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.543 ' O ' ' CB ' ' A' ' 495' ' ' ASN . 7.8 mtpt -146.33 -69.38 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 0.695 ' CG ' ' HB2' ' A' ' 480' ' ' ALA . 2.5 m-20 152.37 169.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 0.819 ' CD1' HD11 ' A' ' 516' ' ' ILE . 83.3 m-85 -96.1 151.5 19.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 12.0 t -107.75 135.65 48.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -128.08 147.84 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.518 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -108.73 148.76 29.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.967 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.765 HG22 HD11 ' A' ' 471' ' ' ILE . 48.3 p -28.97 142.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 119.74 -146.75 18.07 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.905 HG23 ' HB ' ' A' ' 427' ' ' THR . 4.3 m -128.77 136.24 50.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.786 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.11 148.24 51.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.438 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 4.9 m -107.62 138.67 43.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 481' ' ' PHE . 29.1 t80 -122.5 122.31 38.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.785 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.3 m -128.3 147.25 62.91 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.563 1.164 . . . . 0.0 110.422 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . 0.785 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo -74.98 144.4 30.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.494 ' CA ' ' CB ' ' A' ' 512' ' ' ASN . . . -76.22 76.04 1.5 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.57 1.169 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.12 59.44 3.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 1.2 m 167.2 41.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . 79.8 -4.68 64.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . 0.494 ' CB ' ' CA ' ' A' ' 508' ' ' GLY . 1.9 m-20 -62.96 160.32 15.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 514' ' ' GLY . . . -119.54 76.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 513' ' ' ALA . . . 52.83 106.73 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.89 137.99 31.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 0.735 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 0.819 HD11 ' CD1' ' A' ' 496' ' ' TYR . 6.1 mt -123.62 138.3 53.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . 0.438 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.0 OUTLIER -130.0 162.07 29.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.375 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 58.1 m -105.07 92.38 4.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.27 129.28 3.13 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.505 ' CB ' ' CD2' ' A' ' 429' ' ' TYR . . . -59.94 153.37 55.07 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . 0.407 ' HD3' ' OG1' ' A' ' 504' ' ' THR . 18.3 Cg_endo -74.97 150.12 37.83 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -106.79 54.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.028 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 46.63 83.95 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 13.8 t -163.85 149.82 11.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 0.772 . . . . 0.0 110.42 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -171.62 81.74 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.62 ' HB3' HG22 ' A' ' 500' ' ' THR . 12.4 m-80 -91.34 163.22 14.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.557 ' HG2' HG22 ' A' ' 468' ' ' THR . 2.1 tttt -129.02 154.29 46.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.426 HG21 HG21 ' A' ' 471' ' ' ILE . 4.8 t -130.7 125.55 58.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 0.773 ' HB ' HG23 ' A' ' 502' ' ' THR . 40.9 m -108.24 136.57 47.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.372 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -132.72 122.06 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.704 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 16.1 m-30 -114.51 110.58 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.602 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 16.4 t80 -106.59 140.24 39.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.536 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 13.0 tmtt? -62.83 141.66 58.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 3.7 ttmt -74.29 116.39 14.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -127.59 8.52 6.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.57 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 1.4 m-85 -143.4 -66.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 5.3 p30 150.89 -30.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.488 ' O ' ' CG ' ' A' ' 455' ' ' LYS . 94.1 p -163.99 59.98 0.81 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.485 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -74.97 150.89 38.98 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.618 ' CD2' ' HB2' ' A' ' 452' ' ' PRO . 49.6 m-85 -94.52 151.66 19.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.802 HD13 ' N ' ' A' ' 440' ' ' HIS . 0.0 OUTLIER -133.25 124.72 49.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.802 ' N ' HD13 ' A' ' 439' ' ' ILE . 5.0 t60 -94.92 120.68 35.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.611 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.999 ' CD1' HG11 ' A' ' 469' ' ' VAL . 5.3 p90 -122.78 152.66 40.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.537 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 1.2 ttt180 -155.84 123.71 2.84 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 134.6 18.08 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -53.33 102.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 109.46 1.73 31.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.146 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -106.43 -146.34 13.54 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.78 155.07 49.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 0.76 . . . . 0.0 109.99 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.673 ' HB3' ' HE2' ' A' ' 440' ' ' HIS . 38.7 m95 -70.24 156.31 39.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 0.0 107.994 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . 0.778 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 2.5 p -76.58 -173.5 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.443 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.544 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -89.33 94.27 9.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.423 ' HA ' ' C ' ' A' ' 452' ' ' PRO . . . -52.61 126.81 40.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.634 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.2 Cg_endo -75.01 144.06 79.76 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.018 -0.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.634 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -43.76 -113.21 0.0 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 439' ' ' ILE . 9.7 p -130.57 143.4 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 436' ' ' SER . 0.0 OUTLIER -71.75 110.41 6.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 0.954 ' HA ' HD13 ' A' ' 467' ' ' ILE . 22.9 mtm -44.78 118.73 1.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 466' ' ' LYS . 1.9 mt-30 -49.23 175.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.87 133.99 34.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.841 ' HB2' ' HG3' ' A' ' 466' ' ' LYS . . . -112.7 105.31 13.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.51 ' O ' ' C ' ' A' ' 461' ' ' ILE . 12.9 pt-20 -59.76 -14.74 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.56 ' O ' ' CB ' ' A' ' 462' ' ' SER . 3.8 mm -30.61 -47.08 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 154.46 44.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.51 46.48 2.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.82 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.3 m-85 -125.95 -179.75 4.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.861 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.68 144.79 50.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.841 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 50.4 mtpt -124.08 146.31 48.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 0.954 HD13 ' HA ' ' A' ' 456' ' ' MET . 2.7 tp -150.88 133.32 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . 0.611 HG23 ' OG1' ' A' ' 427' ' ' THR . 1.4 m -125.42 124.62 41.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.999 HG11 ' CD1' ' A' ' 441' ' ' TYR . 4.0 t -131.2 135.64 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 425' ' ' LYS . 4.2 t70 -85.03 147.1 26.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.867 HD11 ' CG2' ' A' ' 500' ' ' THR . 27.8 pt -123.71 -1.16 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.646 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -12.96 111.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.646 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 3.4 t 99.3 -10.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 0.708 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -119.62 140.06 51.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 476' ' ' GLN . 0.1 OUTLIER -89.61 -12.5 39.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.991 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 475' ' ' SER . 26.2 mt-30 -150.43 161.87 41.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' A' ' 441' ' ' TYR . 0.0 OUTLIER -141.31 136.57 31.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.573 ' O ' ' CH2' ' A' ' 448' ' ' TRP . 1.0 OUTLIER -102.17 127.5 49.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.326 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.793 ' HB1' HD11 ' A' ' 439' ' ' ILE . . . -142.16 164.84 29.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . 0.489 ' CB ' ' HB3' ' A' ' 490' ' ' SER . . . -139.16 165.68 26.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.602 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 1.6 t80 -109.72 143.7 39.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.583 ' HB3' ' CE3' ' A' ' 488' ' ' TRP . 2.8 p30 -162.95 136.46 5.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.557 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 25.5 p-10 -68.03 -15.72 63.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.575 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 94.08 -15.58 62.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.76 -84.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -153.13 16.4 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -118.12 119.34 34.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 482' ' ' ASN . 30.1 m95 -121.57 168.05 12.18 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.88 101.15 1.61 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.688 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -134.15 119.94 19.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.566 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 0.2 OUTLIER 31.03 41.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.566 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 3.8 t-20 87.25 -43.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.688 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.7 t 177.09 45.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.443 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.439 ' O ' ' ND2' ' A' ' 495' ' ' ASN . 17.6 mttm -146.67 -73.84 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 0.555 ' HB3' ' CG ' ' A' ' 478' ' ' GLU . 0.9 OUTLIER 160.72 144.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 0.888 ' CE1' HD11 ' A' ' 516' ' ' ILE . 54.7 m-85 -93.21 157.21 16.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . 0.473 ' CB ' ' OE2' ' A' ' 478' ' ' GLU . 0.0 OUTLIER -130.14 133.94 46.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . 0.463 ' HE1' ' HB3' ' A' ' 479' ' ' ALA . 0.4 OUTLIER -132.99 138.24 46.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.527 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -96.24 151.82 19.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.981 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.867 ' CG2' HD11 ' A' ' 471' ' ' ILE . 32.6 p -27.65 138.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 124.89 -145.63 15.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.773 HG23 ' HB ' ' A' ' 427' ' ' THR . 7.6 m -129.68 139.43 51.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 0.754 . . . . 0.0 110.373 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.77 148.39 50.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.408 ' O ' ' HA ' ' A' ' 516' ' ' ILE . 4.2 m -114.72 138.3 50.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 110.357 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -121.38 123.26 41.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.812 HG23 ' HD2' ' A' ' 507' ' ' PRO . 1.8 m -127.08 147.67 62.66 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.378 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . 0.812 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.5 Cg_endo -74.97 144.62 30.56 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.549 1.815 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -90.37 -123.21 2.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . 0.473 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 0.6 OUTLIER 157.45 80.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.75 . . . . 0.0 109.26 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.52 -81.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -57.28 -22.0 42.34 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.456 1.098 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . 0.458 ' CB ' ' HA3' ' A' ' 508' ' ' GLY . 2.1 m-80 -117.86 160.62 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -149.19 91.9 1.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 47.98 98.05 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.09 137.93 32.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 110.4 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 0.888 HD11 ' CE1' ' A' ' 496' ' ' TYR . 1.0 OUTLIER -123.37 138.08 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.48 161.95 26.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.444 1.09 . . . . 0.0 110.414 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 17.6 p -105.74 91.81 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 133.03 132.99 3.34 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.512 1.133 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . . . . . . . . . . . -59.18 156.61 27.01 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.773 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 148.51 35.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -117.27 58.27 0.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.092 . . . . 0.0 111.0 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -61.21 -169.42 0.62 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 23.7 p -118.06 146.41 44.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.441 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -82.71 -102.51 0.47 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.534 ' CG ' HG21 ' A' ' 500' ' ' THR . 3.5 m-80 -97.81 158.66 15.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 0.773 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -129.97 148.98 51.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.487 ' CG2' HD13 ' A' ' 471' ' ' ILE . 5.8 t -134.43 119.96 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 0.931 ' HB ' HG23 ' A' ' 502' ' ' THR . 0.2 OUTLIER -106.47 137.09 45.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . 0.498 ' HB ' ' CG2' ' A' ' 467' ' ' ILE . 2.8 mt -129.56 125.73 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.627 ' CE2' ' HD2' ' A' ' 466' ' ' LYS . 5.6 m-85 -114.64 109.41 18.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.619 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 10.9 t80 -107.67 138.35 44.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.71 140.68 58.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 2.5 ttmm -73.97 110.6 8.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -117.2 -15.12 6.72 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 483' ' ' ASP . 0.2 OUTLIER -120.44 -67.12 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 110.973 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.555 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 4.8 p30 151.79 -33.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.497 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 60.7 p -157.24 59.93 1.91 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.497 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.01 160.6 39.92 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.536 1.809 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 20.4 m-85 -107.25 146.42 31.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 480' ' ' ALA . 1.5 tp -130.0 119.21 46.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.472 ' O ' ' N ' ' A' ' 480' ' ' ALA . 1.9 t-160 -92.21 116.83 29.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.553 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.942 ' CG ' HG21 ' A' ' 469' ' ' VAL . 11.7 p90 -121.94 139.26 53.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.734 ' C ' HD12 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -138.16 123.56 12.41 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.286 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 133.27 16.42 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -55.32 100.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 111.54 2.01 27.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -115.2 -157.76 11.6 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 3.7 m -110.87 168.45 9.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.028 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.562 ' CD2' ' HB2' ' A' ' 442' ' ' ARG . 52.3 m95 -89.91 154.2 20.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 108.031 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . 0.472 ' O ' ' NE2' ' A' ' 440' ' ' HIS . 0.6 OUTLIER -68.27 -176.96 0.8 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -87.32 104.94 16.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.641 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -56.82 139.06 77.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.635 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.2 Cg_endo -74.98 120.74 6.85 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 120.994 -2.502 . . . . 0.0 111.003 -0.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.641 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 13.94 -127.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.878 ' CG1' HD11 ' A' ' 467' ' ' ILE . 0.3 OUTLIER -133.62 141.5 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.746 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . 0.456 ' O ' ' NE2' ' A' ' 457' ' ' GLN . 15.1 ttmt -60.32 115.41 3.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 0.889 ' HA ' HD13 ' A' ' 467' ' ' ILE . 5.9 mtt -66.51 121.67 15.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 455' ' ' LYS . 50.1 mm-40 -53.63 175.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.06 132.12 41.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.725 ' HB3' ' CB ' ' A' ' 464' ' ' TYR . . . -105.11 106.82 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 461' ' ' ILE . 15.9 pt-20 -56.08 -16.71 5.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.262 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.654 HD12 ' HB1' ' A' ' 459' ' ' ALA . 1.4 mt -32.32 -45.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.1 m 157.24 56.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 78.56 52.33 5.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.725 ' CB ' ' HB3' ' A' ' 459' ' ' ALA . 1.6 m-85 -122.64 -172.97 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.884 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -128.48 142.75 50.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.627 ' HD2' ' CE2' ' A' ' 429' ' ' TYR . 0.6 OUTLIER -125.01 143.9 50.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.335 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 0.889 HD13 ' HA ' ' A' ' 456' ' ' MET . 3.4 tp -153.4 128.1 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . 0.52 HG23 HG23 ' A' ' 427' ' ' THR . 2.6 m -119.84 119.12 32.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.942 HG21 ' CG ' ' A' ' 441' ' ' TYR . 71.5 t -124.25 128.68 73.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -85.91 146.49 26.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 1.075 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 12.4 pt -118.23 -9.69 11.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 63.32 -89.03 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.56 -19.69 13.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 0.765 . . . . 0.0 110.006 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 1.075 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -49.1 121.02 4.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.34 -13.51 61.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -154.92 162.93 40.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.734 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.1 OUTLIER -143.53 144.65 32.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 441' ' ' TYR . 1.4 mt-10 -96.16 148.42 22.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 1.051 ' HB3' ' CE1' ' A' ' 498' ' ' PHE . . . -136.43 156.89 47.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . 0.583 ' O ' HD12 ' A' ' 439' ' ' ILE . . . -146.78 153.58 40.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.619 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 8.6 t80 -111.97 147.97 34.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.638 ' ND2' ' CE3' ' A' ' 488' ' ' TRP . 0.1 OUTLIER -155.4 153.04 29.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 0.0 109.261 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 434' ' ' PHE . 0.4 OUTLIER -133.97 58.25 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 136.36 -72.08 0.47 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . 0.502 ' O ' ' NE1' ' A' ' 488' ' ' TRP . 3.8 t-20 178.82 -66.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -65.74 -17.73 64.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 483' ' ' ASP . 0.2 OUTLIER -92.9 96.63 10.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . 0.638 ' CE3' ' ND2' ' A' ' 482' ' ' ASN . 80.0 m95 -103.68 164.72 11.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . 0.406 ' CB ' ' HB3' ' A' ' 481' ' ' PHE . 2.0 m-20 -162.74 76.55 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.626 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -129.26 121.35 27.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.985 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.564 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 0.1 OUTLIER 36.11 37.77 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.564 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 13.4 t30 87.87 -41.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.626 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.4 t 173.91 46.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.512 ' O ' ' HB3' ' A' ' 495' ' ' ASN . 15.2 mttm -146.91 -72.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 0.512 ' HB3' ' O ' ' A' ' 494' ' ' LYS . 10.6 p-10 158.58 140.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 0.587 ' CD1' HD11 ' A' ' 516' ' ' ILE . 4.7 m-85 -90.7 162.52 14.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . 0.403 ' C ' ' CD1' ' A' ' 498' ' ' PHE . 10.0 t -126.92 139.51 53.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.978 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . 1.051 ' CE1' ' HB3' ' A' ' 479' ' ' ALA . 5.7 m-85 -137.72 156.74 47.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.505 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -115.92 152.18 33.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.99 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.99 HG22 HD11 ' A' ' 471' ' ' ILE . 23.0 p -30.38 143.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.411 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 118.4 -148.44 18.48 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.959 HG21 ' HB2' ' A' ' 520' ' ' ALA . 35.4 m -125.43 139.81 53.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 0.777 . . . . 0.0 110.388 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 4.6 p -133.53 146.27 50.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.447 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 1.4 m -107.8 139.73 41.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.391 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 481' ' ' PHE . 27.6 t80 -123.14 127.88 49.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.682 HG23 ' HD2' ' A' ' 507' ' ' PRO . 3.7 m -136.61 145.72 52.49 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.368 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.2 Cg_endo -75.02 146.27 32.37 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.506 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -108.72 -142.0 9.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 0.4 OUTLIER 155.8 150.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.784 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 69.04 -87.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.987 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -103.17 -20.07 11.72 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . 0.554 HD22 ' N ' ' A' ' 512' ' ' ASN . 1.4 m-80 -95.39 159.29 15.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -168.55 102.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 58.64 86.05 0.03 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.12 137.86 32.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 110.439 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 0.587 HD11 ' CD1' ' A' ' 496' ' ' TYR . 5.8 mt -123.97 139.05 51.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . 0.447 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.6 OUTLIER -127.7 162.61 26.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 3.2 m -105.93 93.16 4.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 138.34 129.89 2.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.959 ' HB2' HG21 ' A' ' 502' ' ' THR . . . -60.22 156.73 37.66 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . 0.491 ' HD2' ' CD2' ' A' ' 429' ' ' TYR . 18.3 Cg_endo -75.05 147.32 33.57 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.788 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -121.83 51.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.099 . . . . 0.0 111.049 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . 152.13 -152.1 23.88 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 8.7 t -75.46 175.45 8.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 110.365 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . . . . . . . . . . . -156.94 97.87 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.577 ' HB3' HG22 ' A' ' 500' ' ' THR . 25.5 m120 -82.14 155.43 25.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.771 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.577 ' HE2' HG22 ' A' ' 468' ' ' THR . 0.0 OUTLIER -128.75 145.5 51.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 500' ' ' THR . 12.9 t -127.77 127.73 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 0.886 ' HB ' HG23 ' A' ' 502' ' ' THR . 38.0 m -114.74 134.42 55.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.415 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . . . . . . . . . 1.1 mp -133.0 123.09 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.718 ' CE1' ' CG2' ' A' ' 427' ' ' THR . 18.2 m-30 -115.15 112.38 22.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.567 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 10.9 t80 -106.53 139.67 40.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.577 ' HD2' ' CE1' ' A' ' 464' ' ' TYR . 2.2 tttm -64.08 140.56 58.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 5.3 ttmt -73.84 109.76 7.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -125.63 13.22 7.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.6 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 7.5 m-85 -147.17 -61.57 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 0.745 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.6 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 6.3 p30 148.39 -55.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.495 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 5.8 m -138.67 60.21 18.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.02 147.89 34.46 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.516 1.798 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.577 ' CD1' ' HA3' ' A' ' 484' ' ' GLY . 48.8 m-85 -98.79 154.02 18.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.855 HD11 ' HB1' ' A' ' 479' ' ' ALA . 0.0 OUTLIER -132.02 120.39 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.768 ' N ' HD13 ' A' ' 439' ' ' ILE . 1.6 t60 -91.27 117.32 29.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.596 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 0.858 ' CD1' HG11 ' A' ' 469' ' ' VAL . 12.1 p90 -126.17 152.92 45.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.748 ' C ' HD12 ' A' ' 477' ' ' LEU . 2.4 ttt180 -153.82 124.76 3.53 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 134.09 17.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.523 1.802 . . . . 0.0 110.994 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . 0.588 ' HB3' ' HB1' ' A' ' 474' ' ' ALA . . . -53.33 102.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 105.92 5.42 38.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . -109.2 -149.22 13.12 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.81 160.43 29.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 110.039 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.571 ' HB3' ' CE1' ' A' ' 440' ' ' HIS . 55.6 m95 -74.55 157.49 35.39 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . 0.639 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 0.2 OUTLIER -79.17 -172.9 3.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.418 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 453' ' ' GLY . . . -83.81 95.29 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.663 ' HA ' ' N ' ' A' ' 453' ' ' GLY . . . -56.09 138.25 73.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.609 ' O ' ' C ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -74.99 119.04 5.69 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.025 0.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.663 ' N ' ' HA ' ' A' ' 451' ' ' ALA . . . 15.62 -131.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 5.3 p -131.35 134.35 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -58.1 106.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 0.933 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 17.4 mtt -49.77 126.28 13.55 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -54.82 173.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.57 131.75 34.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.813 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -109.36 103.41 12.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.36 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.54 ' O ' ' C ' ' A' ' 461' ' ' ILE . 14.9 pt-20 -58.41 -15.54 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.568 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.9 mm -29.33 -47.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.568 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 0.9 OUTLIER 153.95 44.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.96 48.07 2.15 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.813 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 3.7 m-85 -128.64 179.27 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 0.762 . . . . 0.0 110.983 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.933 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -124.17 145.78 49.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.803 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 50.9 mtpt -126.15 145.88 50.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 0.929 HD13 ' HA ' ' A' ' 456' ' ' MET . 2.4 tp -151.46 129.48 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . 0.577 HG22 ' HE2' ' A' ' 425' ' ' LYS . 2.4 m -122.4 124.17 43.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.858 HG11 ' CD1' ' A' ' 441' ' ' TYR . 27.0 t -128.3 132.98 67.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . 0.408 ' CA ' ' HE3' ' A' ' 425' ' ' LYS . 8.2 t70 -84.23 145.51 28.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.845 HD11 ' CG2' ' A' ' 500' ' ' THR . 13.7 pt -131.15 28.13 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.644 ' O ' ' CB ' ' A' ' 473' ' ' SER . . . -52.0 78.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.644 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 2.5 m 147.38 -12.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.024 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 0.588 ' HB1' ' HB3' ' A' ' 444' ' ' ALA . . . -123.04 138.29 54.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.82 -6.81 59.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -153.54 162.23 41.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.748 HD12 ' C ' ' A' ' 442' ' ' ARG . 0.8 OUTLIER -137.75 128.4 26.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.567 ' OE2' ' N ' ' A' ' 479' ' ' ALA . 4.5 tp10 -102.32 129.3 48.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.855 ' HB1' HD11 ' A' ' 439' ' ' ILE . . . -147.65 164.18 34.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . 0.485 ' CB ' ' HB3' ' A' ' 490' ' ' SER . . . -137.43 169.65 17.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.567 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 2.5 t80 -109.0 143.25 38.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.471 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 2.7 p30 -162.04 136.28 6.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 434' ' ' PHE . 28.8 p-10 -68.27 -12.23 60.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.577 ' HA3' ' CD1' ' A' ' 438' ' ' TYR . . . 86.51 -14.78 54.16 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -83.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.81 16.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . 0.408 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 48.6 m-80 -119.8 117.59 28.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . . . . . . . . . 20.8 m95 -114.19 165.71 12.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 108.044 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . 0.482 ' HB2' ' CD2' ' A' ' 481' ' ' PHE . 0.3 OUTLIER -155.87 97.95 1.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.693 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -134.28 118.81 17.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.553 ' HA ' ' CE1' ' A' ' 496' ' ' TYR . 9.0 t-20 32.13 38.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 29.8 t30 85.93 -40.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.693 ' N ' ' O ' ' A' ' 490' ' ' SER . 2.4 t 178.33 43.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.375 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.63 ' O ' ' HB3' ' A' ' 495' ' ' ASN . 31.5 mttt -145.06 -79.93 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 0.63 ' HB3' ' O ' ' A' ' 494' ' ' LYS . 47.3 p-10 164.06 155.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 0.812 ' CE1' HD11 ' A' ' 516' ' ' ILE . 33.0 m-85 -107.66 145.39 33.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 3.9 t -118.72 145.39 45.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -142.48 139.22 31.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.538 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.0 OUTLIER -96.42 151.34 19.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.992 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.845 ' CG2' HD11 ' A' ' 471' ' ' ILE . 34.5 p -26.83 138.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.25 -147.74 16.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.886 HG23 ' HB ' ' A' ' 427' ' ' THR . 6.7 m -130.43 137.94 50.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 0.775 . . . . 0.0 110.386 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 1.8 p -134.15 148.03 50.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 516' ' ' ILE . 3.3 m -110.09 139.12 45.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -122.1 127.08 49.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.78 HG23 ' HD2' ' A' ' 507' ' ' PRO . 2.4 m -133.11 147.34 64.85 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.415 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . 0.78 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo -75.01 145.42 31.39 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.996 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . 0.608 ' O ' ' CB ' ' A' ' 509' ' ' ASN . . . -104.54 -105.63 3.03 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . 0.608 ' CB ' ' O ' ' A' ' 508' ' ' GLY . 3.2 t-20 91.31 138.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 0.774 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 509' ' ' ASN . 0.3 OUTLIER 89.52 -75.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.047 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -119.72 -23.63 3.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . 0.659 ' ND2' ' H ' ' A' ' 512' ' ' ASN . 0.1 OUTLIER -108.45 164.04 12.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -156.46 95.01 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 65.26 90.26 0.04 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.79 139.21 31.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 110.415 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 0.812 HD11 ' CE1' ' A' ' 496' ' ' TYR . 2.3 mt -123.67 138.87 51.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.39 162.29 27.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.409 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 2.7 m -106.28 92.81 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.971 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 127.75 133.35 3.73 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.434 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -59.06 156.35 27.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 148.61 35.32 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.432 1.754 . . . . 0.0 110.965 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -113.41 57.33 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' GLY . . . . . . . . . . . . . . . -101.73 -38.95 3.06 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . . . . . . . . . 3.4 m -76.62 152.88 35.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.397 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' GLY . . . . . 0.451 ' HA2' ' CA ' ' A' ' 472' ' ' GLY . . . -148.73 67.01 0.38 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' ASN . . . . . 0.596 ' HB3' HG22 ' A' ' 500' ' ' THR . 35.4 m120 -66.6 158.92 28.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.425 ' HD2' HG22 ' A' ' 468' ' ' THR . 2.4 tppt? -129.22 144.31 51.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.529 ' CG2' HD13 ' A' ' 471' ' ' ILE . 9.2 t -126.18 125.67 68.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' THR . . . . . 0.926 ' HB ' HG23 ' A' ' 502' ' ' THR . 60.3 m -113.76 136.76 52.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' ILE . . . . . 0.541 HG21 HD11 ' A' ' 439' ' ' ILE . 1.2 mp -132.77 122.78 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' TYR . . . . . 0.737 ' CE1' HG22 ' A' ' 427' ' ' THR . 16.4 m-30 -114.1 110.82 20.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' TYR . . . . . 0.5 ' OH ' ' CZ ' ' A' ' 481' ' ' PHE . 6.0 t80 -106.65 139.76 40.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.994 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.51 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . 0.3 OUTLIER -64.47 142.05 58.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 463' ' ' GLY . 4.2 ttmt -77.79 108.09 10.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . -122.47 8.17 9.58 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' PHE . . . . . 0.596 ' O ' ' CB ' ' A' ' 435' ' ' ASN . 13.9 m-85 -140.13 -61.92 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.783 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' ASN . . . . . 0.596 ' CB ' ' O ' ' A' ' 434' ' ' PHE . 10.5 m-20 148.39 -60.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.358 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' SER . . . . . 0.458 ' N ' ' HD3' ' A' ' 437' ' ' PRO . 86.0 p -132.82 61.85 58.86 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.97 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 436' ' ' SER . 18.3 Cg_endo -75.05 156.78 42.78 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.549 1.815 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.446 ' CD2' ' HG2' ' A' ' 452' ' ' PRO . 19.9 m-85 -105.42 150.6 25.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.993 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.716 HD13 HG21 ' A' ' 467' ' ' ILE . 2.2 tt -133.27 123.09 46.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . 0.64 ' HE1' ' HB2' ' A' ' 451' ' ' ALA . 0.7 OUTLIER -95.39 126.68 40.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.602 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' TYR . . . . . 1.004 ' CD1' HG11 ' A' ' 469' ' ' VAL . 9.5 p90 -127.22 152.06 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.505 ' HD3' ' CE2' ' A' ' 448' ' ' TRP . 0.3 OUTLIER -156.37 125.11 2.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 446' ' ' GLY . 18.4 Cg_endo -74.99 133.81 17.07 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.561 1.822 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' ALA . . . . . . . . . . . . . . . -50.54 108.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' GLY . . . . . . . . . . . . . . . 105.62 0.44 39.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.098 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 443' ' ' PRO . . . -105.89 -137.83 8.98 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.3 154.8 40.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 109.984 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' TRP . . . . . 0.505 ' CE2' ' HD3' ' A' ' 442' ' ' ARG . 98.4 m95 -67.77 157.86 33.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 107.984 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' THR . . . . . 0.818 HG21 ' CZ ' ' A' ' 441' ' ' TYR . 2.1 p -81.84 -177.21 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.429 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -74.1 96.27 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ALA . . . . . 0.64 ' HB2' ' HE1' ' A' ' 440' ' ' HIS . . . -54.1 126.03 51.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.607 ' O ' ' O ' ' A' ' 453' ' ' GLY . 18.3 Cg_endo -75.02 135.71 41.8 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.982 -2.508 . . . . 0.0 110.994 0.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . 0.607 ' O ' ' O ' ' A' ' 452' ' ' PRO . . . -34.93 -103.87 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.983 HG11 HD11 ' A' ' 467' ' ' ILE . 2.6 p -131.56 147.7 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.787 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -75.26 120.21 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' MET . . . . . 0.924 ' HB3' ' HB1' ' A' ' 465' ' ' ALA . 0.2 OUTLIER -51.5 121.28 6.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 466' ' ' LYS . 1.0 OUTLIER -55.2 174.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.74 135.65 33.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' ALA . . . . . 0.81 ' HB3' ' C ' ' A' ' 464' ' ' TYR . . . -115.54 102.37 9.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.55 ' O ' ' C ' ' A' ' 461' ' ' ILE . 13.0 pt-20 -58.19 -15.39 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' ILE . . . . . 0.562 ' O ' ' CB ' ' A' ' 462' ' ' SER . 4.5 mm -28.77 -47.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' SER . . . . . 0.562 ' CB ' ' O ' ' A' ' 461' ' ' ILE . 1.5 m 154.92 44.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.014 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' GLY . . . . . 0.524 ' O ' ' CB ' ' A' ' 432' ' ' LYS . . . 96.54 47.39 2.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.135 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.81 ' C ' ' HB3' ' A' ' 459' ' ' ALA . 4.2 m-85 -128.19 178.88 5.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.924 ' HB1' ' HB3' ' A' ' 456' ' ' MET . . . -123.11 147.15 47.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.806 ' HG3' ' HB2' ' A' ' 459' ' ' ALA . 51.4 mtpt -128.79 144.34 51.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' ILE . . . . . 0.983 HD11 HG11 ' A' ' 454' ' ' VAL . 0.1 OUTLIER -151.76 128.99 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' THR . . . . . 0.752 HG23 ' OG1' ' A' ' 427' ' ' THR . 2.5 m -125.03 128.19 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.399 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 1.004 HG11 ' CD1' ' A' ' 441' ' ' TYR . 2.2 t -133.33 135.59 56.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -84.57 146.12 27.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.933 ' HB ' ' HB3' ' A' ' 474' ' ' ALA . 14.8 pt -119.31 -9.3 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.667 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . -3.03 108.18 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' SER . . . . . 0.661 ' CB ' ' O ' ' A' ' 472' ' ' GLY . 4.7 t 100.8 -11.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' ALA . . . . . 0.933 ' HB3' ' HB ' ' A' ' 471' ' ' ILE . . . -113.87 136.16 53.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.74 -10.54 53.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -154.7 161.24 41.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.859 HD23 ' C ' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -142.62 142.68 32.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' GLU . . . . . 0.544 ' CG ' ' O ' ' A' ' 496' ' ' TYR . 0.1 OUTLIER -99.04 132.63 44.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' ALA . . . . . 0.67 ' HB3' ' HE2' ' A' ' 498' ' ' PHE . . . -123.65 161.21 25.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 440' ' ' HIS . . . -147.31 156.73 43.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' PHE . . . . . 0.5 ' CZ ' ' OH ' ' A' ' 430' ' ' TYR . 9.3 t80 -110.34 149.08 30.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' ASN . . . . . 0.453 ' N ' ' CD1' ' A' ' 481' ' ' PHE . 0.0 OUTLIER -157.63 157.84 34.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.5 ' HB2' ' CE2' ' A' ' 434' ' ' PHE . 0.6 OUTLIER -131.71 55.85 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 137.23 -70.74 0.48 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' ASN . . . . . 0.507 ' O ' ' NE1' ' A' ' 488' ' ' TRP . 3.5 t-20 179.17 -68.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -61.71 -21.73 64.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 487' ' ' ASN . . . . . 0.489 ' HB2' ' CG ' ' A' ' 483' ' ' ASP . 0.1 OUTLIER -90.61 97.36 11.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 488' ' ' TRP . . . . . 0.507 ' NE1' ' O ' ' A' ' 485' ' ' ASN . 55.8 m95 -102.57 164.19 11.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 107.974 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 481' ' ' PHE . 1.3 m-20 -162.58 77.52 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . 0.639 ' O ' ' N ' ' A' ' 493' ' ' THR . 0.0 OUTLIER -129.38 122.06 28.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.574 ' O ' ' CB ' ' A' ' 492' ' ' ASN . 2.5 t-20 34.5 36.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 492' ' ' ASN . . . . . 0.574 ' CB ' ' O ' ' A' ' 491' ' ' ASN . 10.6 t-20 87.63 -41.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.639 ' N ' ' O ' ' A' ' 490' ' ' SER . 1.6 t 175.49 38.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.425 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' LYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 495' ' ' ASN . 2.8 mtpt -134.54 -74.41 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' ASN . . . . . 0.544 ' HB3' ' O ' ' A' ' 494' ' ' LYS . 12.2 p-10 154.18 147.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' TYR . . . . . 0.831 ' CE1' HD11 ' A' ' 516' ' ' ILE . 23.6 m-85 -95.33 155.6 16.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . 0.406 ' O ' ' CD1' ' A' ' 498' ' ' PHE . 0.0 OUTLIER -129.07 133.23 47.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.031 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' PHE . . . . . 0.94 ' CE1' HG21 ' A' ' 516' ' ' ILE . 10.5 m-85 -135.89 151.86 50.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' SER . . . . . 0.542 ' O ' ' C ' ' A' ' 500' ' ' THR . 0.1 OUTLIER -104.92 150.91 24.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 -179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' THR . . . . . 0.829 HG22 HD11 ' A' ' 471' ' ' ILE . 39.8 p -26.87 138.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' GLY . . . . . . . . . . . . . . . 126.6 -147.62 16.88 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.926 HG23 ' HB ' ' A' ' 427' ' ' THR . 5.3 m -127.9 138.78 52.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 110.429 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.32 148.38 52.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.99 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' THR . . . . . 0.427 ' HB ' ' OG1' ' A' ' 517' ' ' THR . 2.8 m -110.92 138.43 47.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.386 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 481' ' ' PHE . 28.8 t80 -120.75 126.96 51.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.72 HG23 ' HD2' ' A' ' 507' ' ' PRO . 3.7 m -133.47 146.41 60.51 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.15 . . . . 0.0 110.418 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' PRO . . . . . 0.72 ' HD2' HG23 ' A' ' 506' ' ' THR . 18.3 Cg_endo -75.02 145.27 31.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.543 1.812 . . . . 0.0 111.051 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' GLY . . . . . . . . . . . . . . . -92.18 -130.44 5.13 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 164.62 83.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.26 -83.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' GLY . . . . . . . . . . . . . . . -54.09 -25.05 30.49 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.547 1.155 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -116.81 162.15 18.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' ALA . . . . . . . . . . . . . . . -150.11 92.06 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 50.81 98.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.02 138.29 31.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 110.412 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' ILE . . . . . 0.94 HG21 ' CE1' ' A' ' 498' ' ' PHE . 2.9 mt -124.06 138.8 52.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' THR . . . . . 0.427 ' OG1' ' HB ' ' A' ' 504' ' ' THR . 0.3 OUTLIER -128.72 162.3 27.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' SER . . . . . . . . . . . . . 56.8 p -105.98 93.0 4.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 129.49 131.11 3.33 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' ALA . . . . . 0.51 ' HB2' ' CE2' ' A' ' 429' ' ' TYR . . . -58.89 155.99 28.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 151.05 38.85 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.513 1.796 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' ALA . . . . . . . . . . . . . . . -106.26 53.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.571 1.169 . . . . 0.0 110.992 -179.978 . . . . . . . . 0 0 . 1 stop_ save_