data_2lx3_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 2lx3 _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 ' 2' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.327 -0.249 . . . . 72.31 110.327 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -90.89 114.67 27.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 73.02 110.281 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.2 m -101.93 155.46 18.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 71.32 109.981 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 81.1 t -64.17 136.13 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 70.21 109.309 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.1 t -132.46 124.58 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 71.45 109.317 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.73 106.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 72.02 109.289 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.38 -25.99 68.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 62.03 109.275 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.463 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 3.4 pt20 -157.71 173.11 17.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 74.04 110.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 tp -48.67 131.55 17.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 75.04 109.283 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' VAL . 9.9 mt -135.99 104.02 9.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 75.45 109.274 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.0 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 62.44 111.019 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 47' ' ' GLN . 3.0 tt -68.26 139.71 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 64.21 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 66.02 38.85 4.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 63.52 109.318 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 15.9 m -106.03 110.5 22.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 64.45 110.386 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.41 107.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.23 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.3 mt -58.02 147.79 28.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 63.13 109.348 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.8 p -143.49 162.1 36.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 71.53 110.391 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.552 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.3 tp -66.32 -11.82 53.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 71.33 109.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 m -100.37 0.18 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 74.31 109.336 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.0 mtm -125.29 10.52 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 73.41 110.989 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.1 mtm -139.96 155.65 47.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 63.22 111.008 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 24' ' ' THR . 9.8 t -161.63 -169.3 2.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 65.01 110.418 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.446 ' N ' ' OG1' ' A' ' 23' ' ' THR . 17.9 p -127.09 148.89 50.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 72.11 110.416 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -178.17 137.89 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 74.03 110.323 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 t -70.21 101.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 75.4 109.287 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.497 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 11.5 m -123.54 164.84 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 74.53 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.446 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.5 t -139.0 130.99 15.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 73.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.0 162.74 92.24 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.005 -2.498 . . . . 74.13 111.017 -0.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 p -79.04 150.28 31.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 74.53 110.441 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.65 -145.7 6.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 71.2 110.996 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 56' ' ' MET . 68.0 mt -43.37 139.7 2.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 72.31 109.285 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 146.85 33.06 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.454 1.765 . . . . 65.32 110.989 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.2 -19.95 56.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 70.33 109.325 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.46 -4.87 28.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 64.2 110.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.471 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 13.7 m-20 -106.36 5.15 29.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 74.43 109.307 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.19 -50.2 80.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 73.12 109.293 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.96 -2.07 12.05 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.491 1.785 . . . . 75.41 111.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 69.2 mtp180 -97.4 -38.86 9.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 75.42 110.32 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.0 mm? -70.85 -25.57 62.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 73.45 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.552 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.26 130.42 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 72.05 109.293 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.3 t 86.9 -14.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 72.33 109.998 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.433 ' CE ' HG11 ' A' ' 60' ' ' VAL . 1.5 mtm -98.66 131.0 45.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 74.34 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.2 mt-30 -84.02 174.67 10.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 71.54 110.293 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.7 m -104.19 152.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 75.33 109.308 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.494 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 27.1 p30 -101.72 29.35 4.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 74.12 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.444 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 7.9 tt0 -179.92 151.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 75.15 110.292 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 3.4 t -69.65 100.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 72.22 109.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' ILE . 2.9 t -102.64 107.23 53.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 73.22 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 159.98 40.55 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.466 1.772 . . . . 75.24 110.96 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 31.6 ttm -56.94 142.67 40.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 74.51 110.99 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 86.1 -11.28 63.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.452 1.095 . . . . 54.23 111.039 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.5 m -83.69 114.64 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 71.51 110.384 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.497 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 56.5 m -49.68 141.87 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 75.23 110.409 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mt -89.25 134.07 34.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 75.44 109.303 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.499 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 8.6 mmt -115.06 157.88 42.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 73.22 110.976 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.591 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.03 -9.33 20.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 71.31 111.009 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -106.44 11.95 30.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 72.12 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.444 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 28.0 mtm -120.83 8.67 10.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 70.11 110.968 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 40' ' ' LEU . 96.7 t -120.87 134.5 64.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 74.34 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.494 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.8 mtpp -89.84 131.29 35.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 75.12 109.275 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.25 18.68 75.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.15 . . . . 50.33 110.988 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.591 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 58.2 t80 -89.53 173.84 8.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 75.01 111.011 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.568 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 161.64 159.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 72.1 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.506 1.792 . . . . 74.42 111.037 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.304 -0.258 . . . . 75.23 110.304 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -83.76 113.19 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 74.34 110.306 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.6 m -101.85 152.67 20.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.43 110.009 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 72.0 t -60.7 139.33 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 74.54 109.312 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -136.57 128.74 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 73.12 109.321 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.87 106.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 63.43 109.296 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.04 68.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 72.13 109.333 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.468 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 7.5 pt20 -157.83 177.05 11.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 75.12 110.312 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 tp -56.99 119.35 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 74.52 109.301 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.6 mt -120.14 109.08 37.55 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 71.24 109.345 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.99 171.02 19.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.789 . . . . 64.4 110.977 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.4 tt -73.04 139.5 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 75.01 109.28 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 69.8 31.79 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 70.31 109.338 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.485 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 28.9 m -106.36 111.39 23.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 71.21 110.388 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.41 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.75 109.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 62.21 109.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.401 HD22 ' CG1' ' A' ' 45' ' ' VAL . 62.0 mt -54.73 149.27 11.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 64.33 109.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 p -142.92 161.94 36.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 73.13 110.393 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.8 tp -66.28 -12.74 58.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 72.22 109.28 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.431 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 2.4 m -99.3 0.98 10.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 73.22 109.272 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.3 mtm -125.62 10.33 7.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 73.34 111.021 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.2 mtm -140.21 155.89 46.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.44 110.954 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 24' ' ' THR . 8.8 t -161.77 -166.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 74.02 110.429 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.434 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.3 p -127.58 152.11 48.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 73.34 110.409 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 179.62 139.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 75.41 110.301 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.55 92.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 73.12 109.327 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.5 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 9.2 m -113.28 163.37 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 74.53 109.273 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.458 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.74 131.35 15.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 71.31 109.967 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.93 162.64 92.41 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.005 -2.498 . . . . 75.21 111.058 -0.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -75.85 153.07 37.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 73.12 110.408 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.431 ' CA ' ' HE3' ' A' ' 56' ' ' MET . . . -128.39 -140.91 5.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 55.11 110.976 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 56' ' ' MET . 38.7 mt -48.21 142.39 7.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 74.31 109.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.03 146.41 32.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 63.3 110.962 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.15 -20.1 62.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 75.52 109.305 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.84 -5.81 40.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 74.15 110.356 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.46 ' OD1' ' NH2' ' A' ' 39' ' ' ARG . 18.4 m-20 -105.16 2.62 29.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 73.32 109.281 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -47.6 -49.29 56.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 72.21 109.319 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.0 -13.7 21.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 72.11 110.992 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 12.8 mtm180 -83.56 -34.01 25.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 74.35 110.344 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD11 ' CG2' ' A' ' 60' ' ' VAL . 3.7 mm? -75.25 -27.01 59.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 73.15 109.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.7 mm -55.76 130.91 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.23 109.282 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 86.33 -14.75 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 65.21 109.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.461 ' CE ' HG11 ' A' ' 60' ' ' VAL . 1.6 mtm -97.97 127.39 43.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 74.43 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.6 mt-30 -80.86 179.66 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 73.33 110.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.401 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.4 m -110.73 150.33 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 63.05 109.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 17.9 p30 -99.38 27.55 5.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 75.33 109.307 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.425 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 8.3 tt0 -178.63 147.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 74.34 110.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.65 102.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 75.4 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.9 t -104.99 105.47 51.58 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 70.14 109.31 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.81 26.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 73.03 111.011 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.468 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 8.3 ttp -64.69 148.53 50.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 73.24 111.009 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.46 -7.21 61.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 63.05 111.052 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.5 m -88.77 119.13 28.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 72.41 110.377 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.5 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 87.5 m -49.72 144.4 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 73.11 110.37 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -89.12 124.9 34.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 65.24 109.302 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.471 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 8.2 mmt -108.52 152.94 42.34 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 73.53 111.006 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -14.57 21.14 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.475 1.776 . . . . 74.01 111.02 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -100.96 12.75 37.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 65.15 109.294 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.461 ' HE1' ' CG ' ' A' ' 56' ' ' MET . 24.5 mtm -120.61 7.4 10.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 75.11 111.02 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.466 ' CG2' HD11 ' A' ' 40' ' ' LEU . 42.7 t -121.58 135.11 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 75.15 109.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.487 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.8 mtpp -89.49 136.2 33.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 73.51 109.275 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.65 15.48 81.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 72.24 110.999 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 45.4 t80 -87.79 174.38 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 74.34 111.024 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.623 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.02 159.69 0.32 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 63.11 109.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 74.4 111.052 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.27 -0.27 . . . . 74.34 110.27 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -96.84 115.9 28.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 74.41 110.309 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.9 m -101.45 150.46 23.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 73.05 110.009 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.456 HG12 ' CD2' ' A' ' 55' ' ' LEU . 78.0 t -61.11 134.44 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 62.3 109.31 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -129.86 126.11 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 63.24 109.346 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.91 104.75 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 73.13 109.307 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.9 69.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 62.12 109.321 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.439 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 5.0 pt20 -154.25 176.28 12.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 73.21 110.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.57 119.65 6.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 64.13 109.255 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.46 HG22 ' CD2' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -117.14 105.22 49.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 74.2 109.314 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.99 161.57 38.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 75.52 110.984 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 tt -66.05 140.19 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 74.52 109.306 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 69.68 29.89 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 64.24 109.322 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 32.3 m -106.29 112.07 24.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 75.43 110.461 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.53 109.74 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 73.43 109.336 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.46 ' CD2' HG22 ' A' ' 11' ' ' ILE . 61.7 mt -54.9 149.8 11.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 74.02 109.304 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 p -143.42 161.63 37.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 71.34 110.399 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.0 tp -66.02 -14.78 62.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 70.22 109.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -97.58 1.68 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 71.15 109.289 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.2 mtm -125.67 8.89 7.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 74.32 111.005 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -138.63 158.23 44.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 73.41 110.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 24' ' ' THR . 10.3 t -161.77 -167.9 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 73.15 110.403 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.441 ' N ' ' OG1' ' A' ' 23' ' ' THR . 22.1 p -129.44 149.5 51.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 52.35 110.375 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 179.15 135.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 74.11 110.321 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.97 103.2 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 74.22 109.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -123.6 167.06 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 54.55 109.284 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.469 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 6.8 t -139.23 130.39 14.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 75.11 109.99 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.95 162.86 91.98 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.988 -2.505 . . . . 70.22 111.028 -0.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -80.5 148.83 30.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.14 110.409 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.464 ' CA ' ' HE1' ' A' ' 56' ' ' MET . . . -126.39 -145.94 6.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 65.1 110.992 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 56' ' ' MET . 66.6 mt -41.3 138.83 1.45 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 74.45 109.329 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.94 30.94 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 65.13 110.984 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.28 -20.29 58.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 75.21 109.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.28 -5.16 30.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 73.32 110.282 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.481 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 18.5 m-20 -106.24 6.65 30.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 65.15 109.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.03 -50.28 79.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 74.1 109.298 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.01 -1.91 11.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.436 1.756 . . . . 71.2 110.981 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 16.6 mtm180 -97.23 -38.83 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.44 110.312 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 4.0 mm? -70.78 -26.51 63.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 71.42 109.311 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -55.81 131.22 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 75.51 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.4 t 86.49 -14.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 74.11 109.967 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.47 ' CE ' HG13 ' A' ' 60' ' ' VAL . 1.4 mtm -99.28 128.22 45.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 63.22 110.987 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.3 mt-30 -80.21 179.42 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 74.32 110.304 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.439 ' O ' ' CE ' ' A' ' 61' ' ' LYS . 2.9 m -110.85 143.01 21.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 72.02 109.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -92.72 31.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 74.31 109.28 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.435 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 9.3 tt0 177.73 148.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 70.42 110.252 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.413 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -63.5 106.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 74.23 109.314 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' ILE . 68.0 t -109.31 100.69 42.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.12 109.288 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.4 24.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.788 . . . . 74.35 111.013 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.4 ttp -64.74 149.96 48.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 72.53 111.006 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.99 -3.41 65.3 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.134 . . . . 71.12 110.986 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.2 m -95.2 115.48 27.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 0.737 . . . . 75.32 110.376 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.6 m -49.77 144.3 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 73.13 110.409 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.456 ' CD2' HG12 ' A' ' 5' ' ' VAL . 9.7 tp -91.15 136.07 33.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 73.41 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.504 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 6.4 mmt -119.37 158.06 49.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 75.5 110.981 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.01 -8.9 20.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 75.34 110.983 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -103.7 10.25 36.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 74.41 109.294 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.469 ' HE1' ' CG ' ' A' ' 56' ' ' MET . 37.5 mtm -120.77 9.04 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 72.24 111.019 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 96.2 t -123.07 133.74 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 73.45 109.297 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -86.69 149.85 24.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 74.34 109.302 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.67 14.21 28.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 65.33 111.006 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 71.0 t80 -80.0 175.06 10.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.798 . . . . 71.42 111.01 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.564 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 172.67 158.92 0.26 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 74.51 109.341 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 62.3 110.988 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.304 -0.258 . . . . 74.25 110.304 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -89.15 114.75 26.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 74.41 110.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 m -103.39 152.02 22.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 74.3 109.978 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.447 HG11 ' CD2' ' A' ' 55' ' ' LEU . 75.8 t -61.44 135.43 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 72.32 109.263 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.0 t -131.87 125.83 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 75.32 109.285 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.63 105.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 75.12 109.324 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.64 -26.2 68.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 74.32 109.327 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.99 -175.18 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 74.03 110.258 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -72.62 105.4 4.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.12 109.289 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mt -100.1 108.95 54.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 74.42 109.293 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.1 Cg_endo -74.99 168.72 24.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 72.24 110.957 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 47' ' ' GLN . 7.2 tt -70.0 137.68 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 75.22 109.278 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.409 ' ND2' HG12 ' A' ' 13' ' ' ILE . 2.0 m120 66.51 41.42 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 74.53 109.307 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 31.5 m -114.55 110.7 20.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 72.42 110.395 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -49.73 107.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 73.43 109.268 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.458 HD22 ' CG1' ' A' ' 45' ' ' VAL . 58.9 mt -54.34 149.89 9.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 74.11 109.274 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 p -143.34 161.14 39.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 75.41 110.419 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.3 tp -65.41 -17.35 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 75.12 109.271 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -94.29 1.01 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 74.02 109.335 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.5 mtm -125.55 6.46 7.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 73.12 110.97 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -139.98 157.17 46.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 74.31 110.983 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.2 t -161.39 -152.03 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 71.23 110.435 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.438 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 30.2 p -141.84 151.06 42.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 75.55 110.412 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? 179.91 143.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 73.03 110.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -74.85 97.46 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 71.35 109.294 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.488 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 8.4 m -119.11 163.0 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 73.32 109.287 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.45 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.9 t -137.54 131.08 17.15 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 70.31 110.001 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.04 162.75 92.22 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.955 -2.519 . . . . 73.13 111.001 -0.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 p -78.16 149.42 33.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 74.04 110.404 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.471 ' CA ' ' HE2' ' A' ' 56' ' ' MET . . . -127.12 -145.73 6.29 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.535 1.147 . . . . 65.4 111.012 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 56' ' ' MET . 59.5 mt -42.26 139.27 1.85 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 75.4 109.313 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.77 31.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 74.23 110.991 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.438 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -60.24 -20.14 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 73.11 109.291 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.42 -4.97 29.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 71.13 110.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.479 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 16.7 m-20 -106.37 6.39 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 61.43 109.307 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.528 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -51.86 -50.81 75.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 72.31 109.307 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.97 -1.9 11.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 75.45 111.043 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 16.0 mtm180 -97.0 -38.09 9.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 75.24 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 4.0 mm? -71.85 -26.41 62.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 74.55 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.04 131.29 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 75.31 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 86.46 -14.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 72.31 110.026 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.467 ' CE ' HG13 ' A' ' 60' ' ' VAL . 1.4 mtm -99.24 127.01 45.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.097 . . . . 74.44 110.998 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.9 mt-30 -78.44 179.23 7.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 72.4 110.296 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.458 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.5 m -108.95 152.49 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 71.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.497 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 18.7 p30 -103.21 28.46 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 70.43 109.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.46 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 8.8 tt0 179.77 148.32 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 71.34 110.344 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.408 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.5 t -65.72 106.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 73.44 109.302 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.3 t -109.41 100.55 42.03 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.33 109.305 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.06 42.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.479 1.778 . . . . 74.55 110.988 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.8 ttp -49.82 147.57 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 75.41 110.99 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.76 -5.58 69.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 70.52 110.981 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.8 m -91.94 116.17 28.69 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 0.763 . . . . 51.42 110.408 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.488 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 94.2 m -51.47 144.41 10.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 63.43 110.377 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.447 ' CD2' HG11 ' A' ' 5' ' ' VAL . 8.8 tp -91.41 134.12 34.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 72.53 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.498 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.5 mmt -119.25 158.2 49.15 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 75.12 110.988 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.586 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.99 -11.08 21.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.772 . . . . 71.33 111.039 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.62 11.51 37.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 73.02 109.304 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.443 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 32.7 mtm -120.96 7.61 10.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 64.22 111.005 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 78.7 t -120.05 139.46 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 71.05 109.307 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.497 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -90.11 148.19 23.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.51 109.32 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.02 16.78 34.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 63.41 110.979 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 71.1 t80 -80.87 174.98 11.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 75.31 110.98 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.561 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 170.68 158.54 0.21 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 72.24 109.336 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.502 1.79 . . . . 72.32 111.008 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.273 -0.269 . . . . 74.1 110.273 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -92.48 115.45 28.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 72.15 110.302 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.3 m -101.86 150.51 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 75.53 110.007 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 23' ' ' THR . 64.6 t -59.31 139.61 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 73.35 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.0 t -135.89 127.41 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 74.52 109.267 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.38 105.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 74.54 109.326 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.41 -26.7 68.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 73.31 109.323 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.462 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 2.8 pt20 -156.51 176.93 12.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 60.12 110.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 tp -58.21 114.49 2.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 75.31 109.261 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.408 ' CD1' ' O ' ' A' ' 21' ' ' MET . 14.0 mt -114.63 108.75 48.84 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 73.2 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.05 167.43 27.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.543 1.812 . . . . 74.31 110.999 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.4 tt -70.48 139.58 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 75.22 109.327 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 70.48 29.63 3.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 73.14 109.345 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 26.0 m -105.82 111.46 24.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 73.12 110.41 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.41 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.36 107.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 75.24 109.272 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.469 HD21 ' CG1' ' A' ' 45' ' ' VAL . 54.9 mt -53.03 149.87 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 75.32 109.295 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 p -143.53 161.5 38.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 74.33 110.389 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.5 tp -65.96 -14.93 62.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 75.15 109.273 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -97.09 1.62 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 73.02 109.28 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.419 ' HG2' ' NE2' ' A' ' 9' ' ' GLN . 29.0 mtm -125.43 4.47 7.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 75.51 111.005 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.1 mtm -133.64 156.61 47.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 74.45 111.024 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 24' ' ' THR . 10.2 t -161.59 -172.32 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 74.23 110.41 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.419 ' N ' ' OG1' ' A' ' 23' ' ' THR . 20.3 p -123.64 150.72 43.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 75.45 110.366 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -179.54 135.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 71.11 110.278 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 t -69.92 92.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 74.55 109.34 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.491 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 12.2 m -111.99 164.96 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 72.22 109.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.453 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 t -138.61 130.85 15.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 70.35 110.013 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.453 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.98 162.8 92.12 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.011 -2.495 . . . . 72.41 111.012 -0.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -77.73 149.73 34.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 72.11 110.396 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.91 -143.25 5.78 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.555 1.159 . . . . 75.53 110.95 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 56' ' ' MET . 70.4 mt -43.92 139.52 2.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 75.04 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 145.14 31.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.769 . . . . 62.14 111.01 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.32 58.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 73.22 109.318 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -4.18 27.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 74.5 110.267 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.48 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 13.8 m-20 -107.54 5.76 27.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 70.21 109.323 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.546 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.12 -49.66 83.25 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 75.25 109.299 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -75.0 -2.94 13.19 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 73.42 111.054 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 17.3 mtm180 -96.01 -40.16 9.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 73.22 110.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 3.9 mm? -69.58 -26.42 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 73.05 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -55.83 131.75 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 75.31 109.266 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.6 t 86.31 -14.28 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 73.42 109.994 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.468 ' CE ' HG13 ' A' ' 60' ' ' VAL . 1.3 mtm -99.78 127.75 45.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 72.21 110.998 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.5 mt-30 -78.77 178.74 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 73.43 110.326 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.469 ' CG1' HD21 ' A' ' 17' ' ' LEU . 3.7 m -110.55 144.0 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 74.14 109.277 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.45 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 16.3 p30 -93.27 32.49 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 72.33 109.284 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.411 ' N ' HG13 ' A' ' 13' ' ' ILE . 10.1 tt0 176.24 148.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 74.41 110.263 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.41 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -64.93 107.39 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 64.53 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.2 t -109.8 103.28 52.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 63.32 109.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.13 27.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 75.04 111.028 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 35.2 ttm -62.72 145.37 54.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 73.03 111.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.415 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 83.76 -10.04 60.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.554 1.159 . . . . 72.41 111.006 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.1 m -84.36 116.53 23.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 0.735 . . . . 75.11 110.376 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.491 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 97.3 m -49.57 144.5 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 72.23 110.393 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.5 133.23 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 74.23 109.309 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.501 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 7.0 mmt -118.14 154.0 51.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 71.24 110.984 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -9.06 20.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 71.35 111.028 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.16 -0.99 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 73.04 109.343 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.445 ' C ' ' ND2' ' A' ' 46' ' ' ASN . 34.4 mtm -108.38 10.49 27.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 74.02 110.984 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 98.1 t -124.15 131.45 72.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 75.42 109.277 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.443 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -84.99 149.6 25.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 74.54 109.311 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.98 15.22 27.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.142 . . . . 71.31 111.01 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 72.7 t80 -79.19 174.57 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 75.2 111.019 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.535 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 173.99 158.77 0.32 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 72.25 109.264 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 71.15 111.002 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.297 -0.26 . . . . 72.4 110.297 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.3 114.32 26.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 70.13 110.275 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 m -101.7 151.79 21.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 74.45 109.969 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 23' ' ' THR . 93.5 t -59.87 143.23 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 73.42 109.304 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.7 t -139.13 124.89 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 73.24 109.315 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 102.89 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 64.13 109.293 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.06 -29.97 71.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 74.33 109.333 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -143.53 179.08 7.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 72.42 110.316 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 tp -62.56 121.05 12.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 73.44 109.292 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.464 ' CG2' HD21 ' A' ' 17' ' ' LEU . 1.5 mt -115.82 102.92 54.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 65.12 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.496 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.02 161.22 39.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 70.44 110.991 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 47' ' ' GLN . 5.6 tt -63.54 136.37 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 73.32 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 67.2 43.19 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 75.34 109.31 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.496 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 55.2 m -117.4 115.98 26.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 64.22 110.419 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.87 110.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 74.01 109.29 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.464 HD21 ' CG2' ' A' ' 11' ' ' ILE . 87.8 mt -59.04 149.16 28.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 74.24 109.3 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.4 p -142.94 161.12 38.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 74.4 110.412 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 7.7 tp -65.38 -17.43 64.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 74.41 109.262 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.9 m -92.23 -0.6 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 75.41 109.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.9 mtm -125.75 10.32 7.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 75.4 110.943 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.7 mtm -138.57 152.94 48.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 73.15 111.058 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 9.0 t -160.46 -174.26 4.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 74.22 110.396 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.1 p -121.15 146.77 46.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 61.22 110.414 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -175.54 131.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 75.45 110.262 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -66.37 97.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 75.53 109.306 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.493 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 12.0 m -117.17 165.7 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 73.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.446 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.81 130.73 15.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 74.42 110.011 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -75.0 162.81 92.12 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.035 -2.485 . . . . 75.24 111.009 0.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 p -76.26 149.94 37.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 53.34 110.379 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.452 ' CA ' ' HE3' ' A' ' 56' ' ' MET . . . -126.71 -145.45 6.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.429 1.081 . . . . 64.22 111.03 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 56' ' ' MET . 52.8 mt -44.01 139.69 2.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 65.13 109.312 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 145.77 31.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 71.25 111.009 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.67 60.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 71.44 109.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.43 -4.74 28.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 70.45 110.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.482 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 12.4 m-20 -107.29 5.27 27.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.168 . . . . 74.3 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.39 -49.65 84.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 71.13 109.278 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -1.75 11.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.53 1.805 . . . . 72.43 111.014 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.461 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 18.3 mtm180 -97.38 -40.36 8.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 72.52 110.331 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 4.0 mm? -69.13 -27.05 65.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 73.44 109.291 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -55.71 131.73 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 75.11 109.309 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 86.35 -14.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.32 109.999 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.463 ' CE ' HG11 ' A' ' 60' ' ' VAL . 1.7 mtm -98.48 130.35 45.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 64.22 110.944 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.2 mt-30 -82.74 170.9 14.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 65.41 110.278 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.1 m -100.23 154.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 63.53 109.285 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.498 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 20.6 p30 -106.04 30.52 5.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 73.1 109.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.457 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 8.5 tt0 178.71 148.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 74.33 110.294 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.414 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -63.12 103.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 74.14 109.309 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.3 t -109.95 99.73 40.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 73.34 109.279 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 160.77 39.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 73.42 110.975 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 36.0 ttp -52.57 148.23 7.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 74.21 111.015 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.99 -4.7 69.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 74.52 111.005 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.8 m -88.79 114.32 25.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 75.24 110.42 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.493 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 51.8 m -49.71 144.3 6.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.33 110.387 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.37 132.57 34.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 72.33 109.337 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.488 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.6 mmt -121.16 152.3 56.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 73.21 110.987 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.599 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.0 Cg_endo -75.03 -9.74 20.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.558 1.82 . . . . 64.15 110.963 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.58 8.11 37.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 74.24 109.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.455 ' HE3' ' CG ' ' A' ' 56' ' ' MET . 20.0 mtm -120.96 11.85 11.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 73.1 111.018 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 92.3 t -122.5 138.63 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 74.01 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.498 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -90.27 149.26 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 75.22 109.294 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.94 18.07 24.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 73.51 111.015 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.599 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 72.9 t80 -81.6 174.6 11.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 62.04 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.545 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 174.13 158.22 0.32 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 71.25 109.338 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.554 1.818 . . . . 73.5 110.979 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.33 -0.248 . . . . 64.1 110.33 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -89.35 113.74 25.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 75.12 110.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 m -102.92 152.13 21.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 74.3 109.98 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.8 t -59.96 139.78 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 75.11 109.324 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.1 t -137.8 130.04 40.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 64.21 109.34 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.98 106.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 71.14 109.275 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.36 -26.62 68.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 74.23 109.315 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.464 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 5.7 pt20 -156.56 -178.9 7.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 62.42 110.337 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.3 tp -57.88 119.61 7.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 65.11 109.272 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -118.89 105.18 45.68 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 72.44 109.263 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.06 165.23 31.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 71.21 111.005 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.5 tt -68.72 138.38 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 75.14 109.265 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 70.84 32.31 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 72.44 109.296 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.486 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 29.4 m -107.79 112.3 24.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 74.14 110.384 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.31 110.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 72.23 109.303 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.447 HD22 ' CG1' ' A' ' 45' ' ' VAL . 77.2 mt -56.24 147.23 21.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 64.33 109.316 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 p -141.98 164.29 30.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 74.44 110.406 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.529 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.5 tp -67.46 -15.36 63.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 73.23 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -96.63 0.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 72.44 109.291 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.5 mtm -125.56 8.63 7.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 63.32 110.991 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 75.6 mtm -139.55 156.11 47.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 75.53 111.032 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 24' ' ' THR . 10.2 t -161.95 -165.31 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 72.33 110.369 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.426 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.5 p -128.12 151.57 49.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 64.55 110.422 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -179.5 135.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 73.11 110.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 t -70.66 93.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 73.45 109.327 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.49 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 11.4 m -114.14 164.56 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 74.33 109.29 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.447 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 4.1 t -138.65 130.95 15.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 74.04 109.994 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.03 162.81 92.09 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.006 -2.497 . . . . 70.1 111.006 0.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -74.92 152.51 38.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 65.33 110.4 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.38 -142.64 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 63.24 111.007 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' A' ' 56' ' ' MET . 35.9 mt -46.36 141.39 4.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 71.34 109.284 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 144.8 30.78 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 74.43 111.006 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.83 -18.47 55.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 73.31 109.334 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.11 -2.63 28.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 73.22 110.323 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.475 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 18.4 m-20 -108.53 4.79 24.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 73.33 109.334 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.551 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -50.0 -49.07 76.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 73.21 109.303 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.01 -9.8 20.92 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 71.21 111.04 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.451 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 14.7 mtm180 -88.27 -37.83 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 74.13 110.299 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 40' ' ' LEU . 3.9 mm? -73.3 -25.83 60.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 73.24 109.261 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.529 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.2 mm -56.71 130.77 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 72.31 109.276 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.2 m 86.78 -14.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 74.3 109.966 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.431 ' CE ' HG13 ' A' ' 60' ' ' VAL . 1.6 mtm -98.57 126.49 44.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 71.31 110.972 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -77.46 -179.88 6.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 74.22 110.252 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.447 ' CG1' HD22 ' A' ' 17' ' ' LEU . 13.6 m -111.12 153.53 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.43 109.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.49 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 19.9 p30 -103.04 31.23 4.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 75.22 109.264 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.451 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 8.8 tt0 177.17 148.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 75.2 110.332 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.406 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -63.19 104.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 75.12 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 11' ' ' ILE . 22.0 t -107.4 102.77 45.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 75.52 109.359 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.74 14.0 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 64.13 110.982 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.464 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 35.0 ttm -68.67 146.18 53.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 74.33 111.03 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 83.39 -10.31 59.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.488 1.117 . . . . 73.31 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -84.74 116.98 23.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 0.744 . . . . 75.1 110.411 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.49 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 98.2 m -49.5 144.37 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 74.42 110.407 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.27 125.68 35.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 74.23 109.299 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.48 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 6.4 mmt -110.71 153.6 43.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 75.31 110.974 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.607 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.99 -8.36 20.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 74.3 110.999 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.44 0.29 33.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 74.5 109.276 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.458 ' HE1' ' CG ' ' A' ' 56' ' ' MET . 38.3 mtm -112.04 16.52 20.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 72.54 111.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 97.2 t -126.47 131.45 71.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 74.41 109.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.49 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.2 mtpp -86.26 140.71 29.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 74.45 109.282 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.27 17.26 70.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 74.41 111.014 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 70.7 t80 -84.74 174.81 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 74.12 111.012 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.559 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 169.62 159.29 0.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 54.43 109.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.481 1.78 . . . . 75.13 111.012 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.303 -0.258 . . . . 74.32 110.303 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -89.86 120.26 30.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.4 110.293 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.9 m -103.82 149.81 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 75.21 109.944 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.57 137.36 22.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 73.23 109.312 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.6 t -134.59 126.6 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 73.03 109.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.76 107.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 71.21 109.303 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.51 -25.28 68.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 72.44 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.411 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 4.1 pt20 -156.04 175.92 13.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 75.55 110.27 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 tp -57.55 113.16 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 72.52 109.26 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 mt -113.03 107.92 53.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 74.3 109.291 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.01 170.91 19.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 74.44 110.957 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 47' ' ' GLN . 8.2 tt -72.36 138.12 22.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 74.55 109.294 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 70.0 35.13 2.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 75.24 109.291 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.489 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 41.5 m -108.8 114.16 27.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 74.22 110.423 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -54.8 109.35 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 73.02 109.269 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.409 HD21 ' CG1' ' A' ' 45' ' ' VAL . 78.5 mt -57.01 149.1 19.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 75.03 109.288 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 p -143.59 162.15 36.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 75.22 110.369 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.6 tp -66.51 -11.16 51.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 75.43 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 m -101.33 0.87 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 74.02 109.334 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.404 ' HG2' ' NE2' ' A' ' 9' ' ' GLN . 37.2 mtm -125.52 10.58 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 71.35 110.974 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.5 mtm -139.16 157.79 45.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 75.35 110.993 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 24' ' ' THR . 9.1 t -161.82 -169.28 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 73.41 110.396 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.42 ' N ' ' OG1' ' A' ' 23' ' ' THR . 23.8 p -125.76 152.41 45.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 74.31 110.404 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 174.98 108.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 74.31 110.319 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 p -54.3 103.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 75.33 109.298 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.439 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 25.2 m -119.76 169.58 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 73.42 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.454 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.3 t -133.6 128.31 19.97 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.145 . . . . 73.11 110.043 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -75.0 162.27 93.18 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.063 -2.474 . . . . 74.24 111.027 0.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p -80.18 148.2 30.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 74.21 110.405 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.457 ' CA ' ' HE3' ' A' ' 56' ' ' MET . . . -124.83 -145.85 6.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 74.31 110.991 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.503 ' CD1' ' O ' ' A' ' 56' ' ' MET . 69.2 mt -43.22 138.78 2.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 75.14 109.302 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.41 31.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 74.02 110.965 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.53 -16.4 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 74.3 109.333 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 -0.52 22.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 74.41 110.291 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.48 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 14.6 m-20 -109.57 4.39 22.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 72.4 109.29 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.94 -50.05 80.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 71.22 109.294 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.98 -1.62 11.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.509 1.794 . . . . 73.05 111.008 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 69.0 mtp180 -97.45 -41.4 8.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 73.34 110.283 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 3.9 mm? -68.25 -27.88 66.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 72.54 109.315 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' A' ' 42' ' ' SER . 1.4 mm -53.99 130.33 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 74.43 109.344 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.4 t 88.76 -22.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 72.44 109.974 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.469 ' CE ' HG11 ' A' ' 60' ' ' VAL . 1.6 mtm -92.98 133.02 36.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 72.54 110.975 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 4.1 mt-30 -85.1 178.78 7.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 75.01 110.301 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.409 ' CG1' HD21 ' A' ' 17' ' ' LEU . 3.5 m -107.34 152.33 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 74.03 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.505 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 16.3 p30 -101.98 26.02 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 71.35 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.454 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 8.5 tt0 -176.68 148.68 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 74.52 110.292 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.409 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.9 t -65.09 103.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 64.1 109.329 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.2 t -106.95 103.5 47.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 73.14 109.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 161.86 38.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 74.42 111.016 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.411 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 8.5 ttp -58.76 144.61 43.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 75.23 110.98 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.82 -10.56 62.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 74.41 110.976 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.3 m -85.56 116.87 24.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 74.33 110.357 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.439 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 46.3 m -49.78 143.15 7.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 64.04 110.411 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.0 tp -91.81 132.83 36.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 72.31 109.339 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.503 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 7.6 mmt -116.41 158.43 43.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 73.45 110.996 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.97 -9.64 20.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.809 . . . . 74.41 110.982 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -104.09 10.91 35.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 63.24 109.305 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.444 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 35.5 mtm -121.12 13.16 11.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 71.24 111.001 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.469 HG11 ' CE ' ' A' ' 43' ' ' MET . 99.4 t -126.3 134.16 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 71.4 109.293 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.505 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -87.91 140.44 29.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 72.52 109.323 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.22 18.56 71.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 51.34 110.984 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.593 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 59.0 t80 -87.34 174.07 8.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 73.52 111.002 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.583 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 162.31 157.51 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 70.41 109.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.519 1.8 . . . . 73.41 111.006 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.286 -0.264 . . . . 74.45 110.286 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -82.43 123.16 28.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 71.1 110.302 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.05 149.71 29.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 74.33 110.012 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.467 HG11 ' CD1' ' A' ' 55' ' ' LEU . 95.3 t -61.51 137.6 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 73.31 109.282 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.8 t -135.1 122.2 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 63.53 109.26 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.48 106.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 63.33 109.301 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.69 68.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 62.22 109.298 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.457 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 3.1 pt20 -153.79 175.8 12.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 73.3 110.35 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.18 105.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 74.03 109.324 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 21' ' ' MET . 12.9 mt -103.14 107.97 57.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 72.42 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.04 167.96 25.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.799 . . . . 73.24 111.04 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.9 tt -70.84 141.2 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 72.41 109.304 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 69.55 27.68 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 73.41 109.296 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.499 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 27.2 m -103.89 111.85 24.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 63.41 110.386 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.75 109.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 72.33 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.447 HD21 ' CG1' ' A' ' 45' ' ' VAL . 70.1 mt -54.48 149.56 10.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 63.51 109.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 p -143.4 161.89 37.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 74.24 110.398 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.4 tp -66.44 -11.43 51.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 74.03 109.255 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 m -100.94 1.02 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 74.52 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.404 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 32.0 mtm -125.6 9.9 7.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 74.34 111.023 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -141.38 156.92 45.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 75.3 110.999 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 t -161.71 -158.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 63.22 110.392 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.6 p -138.24 150.05 46.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 74.11 110.36 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -179.78 136.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 75.01 110.337 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -67.32 97.66 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 65.15 109.323 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.479 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 10.0 m -119.59 163.86 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 70.55 109.245 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.443 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.27 130.86 16.21 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 71.54 109.99 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.443 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.6 Cg_endo -74.92 163.04 91.59 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.025 -2.489 . . . . 74.02 111.026 -0.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 p -82.09 145.9 29.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 71.23 110.397 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.462 ' CA ' ' HE1' ' A' ' 56' ' ' MET . . . -122.77 -142.83 6.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.143 . . . . 72.34 111.006 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 56' ' ' MET . 65.0 mt -43.98 139.22 3.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 75.4 109.294 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.88 31.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 64.44 110.959 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.1 -20.48 58.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 63.11 109.285 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.49 -5.59 29.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 55.45 110.32 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.477 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 15.9 m-20 -105.57 6.39 32.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 62.14 109.265 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.53 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -51.9 -50.75 76.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 70.44 109.326 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.05 -1.78 11.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 74.53 110.927 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 16.2 mtm180 -97.38 -37.66 9.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 73.43 110.276 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 4.0 mm? -72.11 -26.14 62.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 72.2 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.559 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.02 130.98 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 74.42 109.249 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.4 t 86.2 -13.99 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 74.24 109.999 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.462 ' CE ' HG13 ' A' ' 60' ' ' VAL . 1.8 mtm -100.22 128.4 46.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 75.13 110.999 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.5 mt-30 -80.62 179.55 7.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 72.2 110.296 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.447 ' CG1' HD21 ' A' ' 17' ' ' LEU . 3.6 m -111.6 144.75 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 75.42 109.33 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -93.22 33.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 74.45 109.318 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.444 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 8.8 tt0 175.93 149.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.52 110.294 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.412 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -67.7 105.88 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 73.51 109.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.15 105.37 51.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 73.45 109.279 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.79 43.0 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.8 . . . . 74.12 111.007 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 30.0 ttm -56.15 143.72 32.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 73.21 110.985 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 86.52 -12.55 60.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.092 . . . . 54.53 110.973 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.7 m -85.81 115.57 23.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 74.41 110.408 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.479 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 32.7 m -49.64 143.54 7.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 75.2 110.434 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD1' HG11 ' A' ' 5' ' ' VAL . 4.8 mt -90.55 132.86 35.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 73.02 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.501 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.2 mmt -115.31 158.19 41.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 75.13 111.05 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.598 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.01 -9.16 20.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 74.23 110.991 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -102.46 8.7 39.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 73.53 109.282 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.444 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 42.4 mtm -120.64 13.37 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 74.54 111.005 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 88.8 t -126.19 133.75 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 75.4 109.288 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.22 150.52 24.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 75.04 109.307 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.74 15.64 20.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 75.14 111.014 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 67.9 t80 -80.98 174.95 11.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 71.24 110.947 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.579 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 173.65 159.19 0.3 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 64.13 109.303 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.549 1.815 . . . . 74.12 111.019 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.257 -0.275 . . . . 74.44 110.257 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.37 114.9 25.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.33 110.316 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -102.01 151.13 22.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 74.33 109.991 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 23' ' ' THR . 85.1 t -59.27 142.19 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 72.25 109.269 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.8 t -138.39 125.41 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 70.31 109.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.24 105.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 60.23 109.34 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.412 ' HB3' ' N ' ' A' ' 22' ' ' MET . . . -63.13 -25.7 68.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 71.24 109.29 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.459 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 2.9 pt20 -156.45 178.36 10.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 72.25 110.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.53 113.45 2.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 73.4 109.304 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.44 ' CD1' ' O ' ' A' ' 21' ' ' MET . 17.3 mt -113.9 108.55 50.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.163 . . . . 75.53 109.342 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.493 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.97 171.06 19.06 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.45 1.763 . . . . 73.24 111.004 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 47' ' ' GLN . 5.5 tt -72.25 146.12 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 75.11 109.349 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.431 ' OD1' ' NZ ' ' A' ' 61' ' ' LYS . 8.9 m-80 62.94 29.19 16.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 73.31 109.276 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.493 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 32.1 m -104.5 112.66 25.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 73.24 110.404 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.411 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.7 110.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 73.12 109.33 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD22 ' CG1' ' A' ' 45' ' ' VAL . 74.1 mt -57.0 148.67 20.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 75.25 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.4 p -142.67 161.2 38.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 72.11 110.391 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.9 tp -65.09 -18.45 65.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 71.34 109.307 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.9 m -93.1 1.15 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 75.21 109.292 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.44 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 14.2 mtm -125.52 6.6 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.3 111.043 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.412 ' N ' ' HB3' ' A' ' 8' ' ' ALA . 74.8 mtm -136.38 154.12 50.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 73.02 111.019 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 8.8 t -159.59 -174.03 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 71.04 110.358 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -121.06 150.13 41.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 75.31 110.395 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.32 133.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 73.13 110.312 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.22 87.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 74.24 109.241 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.49 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 11.6 m -106.67 164.99 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 73.33 109.279 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.449 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.8 t -137.82 130.54 16.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 73.03 109.966 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.02 163.1 91.5 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.992 -2.503 . . . . 75.33 111.001 0.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 p -77.02 148.37 36.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 71.42 110.365 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.5 -145.24 6.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 53.43 111.015 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 56' ' ' MET . 59.9 mt -42.86 139.14 2.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 75.21 109.316 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 146.38 32.69 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 73.31 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.29 -20.15 57.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 64.21 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -4.17 27.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 74.23 110.284 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.485 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 11.3 m-20 -107.7 4.39 25.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 71.31 109.279 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.552 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.28 -49.53 84.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 73.42 109.326 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.0 -2.07 12.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 74.41 110.975 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 18.0 mtm180 -97.22 -40.55 8.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 72.14 110.293 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 3.9 mm? -69.39 -26.26 64.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 73.11 109.313 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.553 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.17 131.45 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 73.45 109.319 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER 86.8 -14.31 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 73.53 110.043 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.468 ' CE ' HG12 ' A' ' 60' ' ' VAL . 1.6 mtm -100.3 128.59 46.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 71.11 111.03 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.3 mt-30 -79.28 179.04 7.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 75.32 110.248 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.402 ' CG1' HD22 ' A' ' 17' ' ' LEU . 6.7 m -111.7 144.74 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 73.25 109.369 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.411 ' CB ' ' HD3' ' A' ' 61' ' ' LYS . 18.8 p30 -92.69 28.69 1.96 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 74.21 109.275 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.447 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 8.6 tt0 -178.98 148.68 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 73.53 110.273 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.408 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -67.31 106.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.54 109.259 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.44 HG13 ' CG2' ' A' ' 53' ' ' THR . 12.6 t -108.56 101.76 44.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 70.53 109.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 53' ' ' THR . 18.2 Cg_endo -75.01 158.8 41.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 74.41 110.985 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.459 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 15.6 ttp -50.1 145.33 5.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 73.23 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.85 -8.73 61.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 74.05 110.991 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 38.8 m -83.65 112.13 19.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 73.41 110.347 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.49 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 99.3 m -49.76 144.52 6.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 74.24 110.364 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.7 132.38 34.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 71.54 109.329 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.495 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.3 mmt -120.58 153.23 56.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 72.53 111.038 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.601 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.98 -8.03 19.72 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.767 . . . . 75.01 111.023 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.66 9.12 35.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 73.24 109.3 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.447 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 30.6 mtm -120.92 11.91 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 74.31 111.0 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 99.3 t -124.96 134.23 67.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 74.13 109.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' NZ ' ' OD1' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -86.61 149.46 24.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 73.53 109.278 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.83 16.15 22.93 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.521 1.138 . . . . 53.25 110.994 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.601 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 71.0 t80 -78.79 174.58 11.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 74.12 110.975 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.547 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 176.03 158.34 0.42 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 75.51 109.335 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.538 1.809 . . . . 73.2 110.987 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.298 -0.26 . . . . 73.53 110.298 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -101.67 112.52 25.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -101.26 152.37 20.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 72.04 109.998 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.443 HG12 ' CD2' ' A' ' 55' ' ' LEU . 79.1 t -61.89 135.51 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 74.32 109.333 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.6 t -131.76 126.03 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 71.31 109.309 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.07 105.4 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 64.21 109.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.25 -26.7 68.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 71.15 109.329 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.466 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 4.3 pt20 -156.5 172.44 18.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 72.14 110.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.0 tp -50.61 131.58 25.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 72.33 109.243 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' VAL . 19.7 mt -135.82 103.57 10.0 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 70.15 109.256 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.6 Cg_endo -74.93 173.3 14.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 74.3 111.016 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.407 ' CD1' ' HA ' ' A' ' 47' ' ' GLN . 3.7 tt -69.22 134.92 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 74.41 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 2.2 m120 74.75 31.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 74.44 109.337 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.499 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 19.1 m -102.33 109.58 21.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 74.22 110.452 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -54.36 108.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 51.32 109.265 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.406 HD23 ' CG1' ' A' ' 45' ' ' VAL . 62.8 mt -56.2 147.34 20.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 72.23 109.312 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.7 p -143.47 162.12 36.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 72.13 110.401 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.543 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.8 tp -66.31 -11.11 48.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 71.43 109.275 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -100.72 -0.55 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 75.31 109.297 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 28.0 mtm -124.8 9.15 8.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 72.15 111.003 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.41 ' CE ' HG12 ' A' ' 41' ' ' ILE . 77.1 mtm -137.71 155.49 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 74.45 111.004 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 24' ' ' THR . 9.8 t -161.24 -170.84 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 71.33 110.426 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.437 ' N ' ' OG1' ' A' ' 23' ' ' THR . 18.7 p -125.92 148.44 49.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 74.13 110.382 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -177.32 135.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 75.24 110.275 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.03 93.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 74.22 109.272 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.498 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 12.4 m -113.73 164.79 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 71.22 109.343 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.448 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.2 t -138.03 130.77 16.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 74.22 110.018 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -75.0 162.89 91.96 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.969 -2.513 . . . . 75.51 111.069 -0.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -79.01 150.4 31.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 73.11 110.416 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.466 ' CA ' ' HE3' ' A' ' 56' ' ' MET . . . -127.56 -144.54 5.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 73.23 111.03 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.503 ' CD1' ' O ' ' A' ' 56' ' ' MET . 68.4 mt -43.06 139.74 2.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 75.54 109.258 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.69 31.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 71.45 111.056 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.38 -20.62 60.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 73.24 109.299 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.03 -5.22 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 74.32 110.309 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.479 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 12.6 m-20 -105.91 5.77 30.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 75.22 109.272 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.552 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.3 -49.68 83.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 75.23 109.276 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.94 -2.23 12.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 75.14 111.011 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.454 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 17.8 mtm180 -97.22 -39.15 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 73.12 110.317 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 4.0 mm? -70.79 -26.02 63.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 73.02 109.285 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.22 130.96 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 64.33 109.319 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER 86.68 -14.26 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 64.01 110.004 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.466 ' CE ' HG11 ' A' ' 60' ' ' VAL . 1.6 mtm -100.04 130.73 46.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 73.21 111.01 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.7 mt-30 -83.82 178.17 8.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.23 110.256 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.406 ' CG1' HD23 ' A' ' 17' ' ' LEU . 8.1 m -108.78 146.39 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 72.34 109.322 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.438 ' CB ' ' HD3' ' A' ' 61' ' ' LYS . 17.1 p30 -94.06 27.1 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 75.12 109.309 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.437 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 8.9 tt0 -176.58 149.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 74.21 110.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.413 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 3.1 t -67.13 102.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 71.54 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 11' ' ' ILE . 3.0 t -104.0 106.15 51.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 73.11 109.287 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 162.27 37.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 72.12 111.007 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 30.5 ttm -61.19 143.1 56.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 71.11 111.044 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.403 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 86.17 -10.4 66.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 71.21 111.016 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.7 m -85.89 116.77 24.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 74.1 110.413 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.498 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 62.0 m -49.52 143.12 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 74.35 110.387 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.443 ' CD2' HG12 ' A' ' 5' ' ' VAL . 9.9 tp -90.9 133.05 35.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 72.43 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.503 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.8 mmt -116.46 158.11 44.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.22 110.974 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.607 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.04 -8.37 19.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.494 1.786 . . . . 73.02 111.012 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -102.9 8.24 39.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 74.22 109.328 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.46 ' HE1' ' CG ' ' A' ' 56' ' ' MET . 43.9 mtm -120.61 15.48 11.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 71.11 110.97 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 88.9 t -128.14 133.16 67.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 72.33 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.438 ' HD3' ' CB ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -85.98 149.29 25.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 73.2 109.275 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.83 16.04 29.77 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.472 1.108 . . . . 73.12 110.997 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 68.6 t80 -81.05 174.95 11.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 74.34 110.967 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.572 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 173.79 159.06 0.31 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 75.14 109.305 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 64.14 110.985 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.304 -0.258 . . . . 72.32 110.304 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -90.64 118.15 29.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 71.13 110.317 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.8 m -102.98 154.04 19.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 72.23 109.984 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 81.7 t -63.14 135.42 27.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 70.03 109.316 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.5 t -130.43 125.85 60.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 64.41 109.292 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.84 106.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 73.44 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.98 -25.11 67.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 73.21 109.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.416 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 4.6 pt20 -156.92 178.1 10.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 75.25 110.299 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 tp -58.37 122.87 14.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 74.35 109.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -122.17 105.24 37.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 75.4 109.305 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.01 169.12 23.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.783 . . . . 65.3 110.996 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.2 tt -66.6 138.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 74.2 109.264 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 67.03 40.26 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 63.2 109.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.486 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 20.0 m -109.69 113.62 26.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 64.2 110.37 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.423 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -55.68 111.35 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 75.02 109.292 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 40' ' ' LEU . 82.2 mt -57.54 147.02 28.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 74.4 109.346 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -142.6 160.68 39.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 73.15 110.404 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.538 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.3 tp -66.54 -11.91 55.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 75.03 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.06 1.8 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 73.31 109.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.462 ' HE1' ' CG2' ' A' ' 15' ' ' THR . 17.0 mtm -125.32 9.24 7.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 71.34 110.976 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.5 mtm -139.94 154.87 47.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 61.1 110.983 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 24' ' ' THR . 10.1 t -160.72 -172.13 3.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 74.52 110.393 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.418 ' N ' ' OG1' ' A' ' 23' ' ' THR . 19.7 p -123.65 149.44 45.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 71.32 110.371 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 179.67 135.5 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 75.24 110.287 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 t -67.83 106.35 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 75.11 109.271 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.496 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 12.1 m -128.01 165.26 27.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 74.03 109.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.477 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.9 t -139.06 130.82 15.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 54.44 109.989 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 162.77 92.18 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.013 -2.495 . . . . 75.43 110.989 -0.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p -79.67 150.29 30.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 75.1 110.456 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.441 ' CA ' ' HE2' ' A' ' 56' ' ' MET . . . -126.27 -145.9 6.47 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 73.12 110.978 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' C ' ' A' ' 56' ' ' MET . 26.4 mt -44.6 140.11 3.31 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.557 0.798 . . . . 75.44 109.279 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.4 33.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.45 1.763 . . . . 74.11 111.044 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.15 -19.66 54.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 74.23 109.297 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.41 -4.61 27.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 74.34 110.275 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.475 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 11.2 m-20 -107.5 5.52 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 70.24 109.335 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.96 -49.28 88.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 74.44 109.31 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -1.56 11.38 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 75.13 111.012 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 18.1 mtm180 -97.53 -43.41 7.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 74.42 110.281 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.476 HD23 ' N ' ' A' ' 40' ' ' LEU . 3.9 mm? -65.37 -32.14 73.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 73.43 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 42' ' ' SER . 1.5 mm -46.63 128.99 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 74.24 109.323 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.8 m 90.11 -35.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 73.51 109.943 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 3.5 mmm -74.72 132.4 41.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 61.5 110.997 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 8.5 mt-30 -87.86 164.31 15.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 64.31 110.31 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.4 ' O ' ' CE ' ' A' ' 61' ' ' LYS . 17.0 m -94.58 141.38 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 74.3 109.332 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 21.6 p30 -92.42 32.03 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 71.33 109.289 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 9.1 tt0 178.29 149.21 0.2 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 74.32 110.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.416 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -64.52 102.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 75.51 109.328 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' ILE . 53.6 t -106.9 103.45 47.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 73.1 109.305 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.82 21.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 74.33 111.036 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.401 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 22.9 ttp -65.77 149.94 49.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 71.54 111.013 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.21 -4.55 62.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 72.24 111.027 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.8 m -93.09 115.59 28.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 74.42 110.399 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.496 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 61.6 m -49.58 144.18 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 60.35 110.359 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mt -91.08 135.58 33.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 73.53 109.275 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.472 ' C ' ' CD1' ' A' ' 32' ' ' ILE . 5.9 mmt -119.58 157.39 51.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 73.52 110.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.57 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -9.4 20.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 73.41 111.048 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.15 12.94 35.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 72.34 109.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.9 mtm -120.88 4.51 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 75.44 110.977 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.5 t -114.66 143.24 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 53.33 109.25 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -88.94 146.25 25.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 65.12 109.289 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.0 28.44 17.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 72.22 111.013 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 50.6 t80 -88.34 174.31 8.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 73.22 110.992 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.65 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.48 161.87 0.35 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 71.41 109.263 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 73.33 110.966 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 3' ' ' GLU . 11.8 tp60 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.269 -0.271 . . . . 75.32 110.269 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.438 ' O ' ' NE2' ' A' ' 2' ' ' GLN . 5.0 mt-10 -72.54 112.37 8.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 73.02 110.29 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.11 147.11 26.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 74.22 109.997 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 23' ' ' THR . 77.1 t -59.22 139.46 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 75.41 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.4 t -138.81 124.35 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 75.31 109.32 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -44.1 106.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 71.3 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.11 -26.37 68.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 71.23 109.307 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.465 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 2.8 pt20 -157.17 174.68 15.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 71.35 110.335 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 tp -55.12 119.61 5.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 75.34 109.314 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 49' ' ' VAL . 16.2 mt -121.57 109.57 34.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 74.35 109.251 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.03 172.19 16.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 63.14 111.009 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.9 tt -73.63 139.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 72.12 109.312 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 70.01 32.68 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 72.44 109.308 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.488 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 31.4 m -107.23 111.92 24.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 74.34 110.393 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.71 108.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 70.4 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.419 HD22 ' CG1' ' A' ' 45' ' ' VAL . 60.5 mt -54.0 149.61 8.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 73.53 109.315 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 p -143.55 161.44 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 73.01 110.427 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 13.0 tp -66.08 -14.47 61.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 74.22 109.325 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -97.91 2.28 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 64.23 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.426 ' HA ' ' CG ' ' A' ' 9' ' ' GLN . 13.8 mtm -125.64 4.01 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 72.1 110.976 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -136.42 157.51 46.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 71.32 110.989 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 14.3 t -162.03 -159.65 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 73.32 110.392 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.0 p -133.41 153.81 51.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 75.43 110.397 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? 177.33 129.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 75.31 110.304 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.98 100.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 64.31 109.294 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.42 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 11.9 m -120.43 165.71 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.53 109.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.445 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.26 130.18 15.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 75.41 110.015 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.95 164.31 88.66 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.02 -2.492 . . . . 74.43 110.965 -0.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 p -80.39 147.27 31.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 73.43 110.378 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -122.94 -140.49 5.71 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.455 1.097 . . . . 73.44 110.974 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 56' ' ' MET . 65.9 mt -47.43 139.54 7.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.583 0.814 . . . . 73.45 109.31 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 144.65 30.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.456 1.767 . . . . 75.41 110.984 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.91 -20.55 57.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 42.51 109.257 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.26 -4.78 27.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 71.42 110.304 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.479 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 13.8 m-20 -106.1 5.8 30.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 65.12 109.334 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.538 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.99 -50.3 79.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 71.42 109.338 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.02 -1.95 11.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.548 1.815 . . . . 74.34 110.982 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 16.4 mtm180 -97.24 -39.02 9.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 72.23 110.313 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 4.0 mm? -70.32 -26.56 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 71.21 109.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -55.96 131.63 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 75.3 109.293 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.6 m 85.9 -14.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 74.52 110.003 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.476 ' CE ' HG12 ' A' ' 60' ' ' VAL . 1.8 mtm -99.03 127.24 44.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 74.33 111.0 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.5 mt-30 -79.7 -179.27 6.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 74.44 110.324 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.419 ' CG1' HD22 ' A' ' 17' ' ' LEU . 6.2 m -112.15 153.78 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 75.3 109.253 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 15.6 p30 -102.07 25.08 9.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 70.5 109.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.448 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 8.3 tt0 -177.08 146.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 75.34 110.306 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.5 t -61.76 106.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 71.03 109.279 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' ILE . 15.9 t -106.75 103.99 49.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 73.12 109.295 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 165.93 30.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 74.45 111.014 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 34.5 ttm -63.77 145.47 55.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 75.44 110.969 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.425 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 83.57 -9.22 62.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 63.51 111.044 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.8 m -85.54 118.33 25.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 73.23 110.39 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.42 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 68.7 m -49.68 144.51 6.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 75.55 110.376 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -88.96 128.19 35.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 74.3 109.291 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.493 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 6.9 mmt -111.9 152.91 44.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 71.53 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.02 -12.37 21.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 72.32 111.004 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.31 11.37 36.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 74.15 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.46 ' HE3' ' CG ' ' A' ' 56' ' ' MET . 23.1 mtm -119.01 8.95 11.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 72.34 111.046 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.476 HG12 ' CE ' ' A' ' 43' ' ' MET . 97.1 t -122.78 135.32 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 74.31 109.303 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.487 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.8 mtpp -89.86 135.29 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 73.31 109.283 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.49 17.61 80.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.436 1.085 . . . . 73.14 110.975 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 65.6 t80 -88.36 174.64 8.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 0.729 . . . . 73.3 110.985 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.556 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 170.62 161.24 0.22 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 70.31 109.279 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 65.44 110.994 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.334 -0.247 . . . . 70.44 110.334 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.29 114.99 24.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 73.44 110.296 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 m -102.35 151.9 21.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 72.34 110.02 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.423 ' CG1' ' CD2' ' A' ' 55' ' ' LEU . 71.9 t -61.81 134.28 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 74.23 109.293 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.0 t -131.36 127.16 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 61.25 109.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.19 105.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 64.1 109.281 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.62 -25.62 68.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 72.41 109.312 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.408 ' NE2' ' HG2' ' A' ' 21' ' ' MET . 3.3 pt20 -152.43 172.19 16.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 73.34 110.269 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 tp -53.99 133.56 43.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 60.1 109.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 49' ' ' VAL . 19.9 mt -135.77 106.66 9.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 72.33 109.273 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.494 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.05 173.01 15.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 64.34 110.978 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tt -69.33 135.93 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 73.32 109.301 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 73.66 31.96 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 72.35 109.289 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.494 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 19.0 m -102.2 109.72 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 75.23 110.406 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -54.82 109.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 72.03 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.432 HD21 ' CG1' ' A' ' 45' ' ' VAL . 52.1 mt -55.6 148.27 16.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 74.11 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 p -143.65 162.15 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 74.1 110.41 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.4 tp -66.4 -11.9 54.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 73.52 109.304 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -100.15 0.63 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 70.22 109.297 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.408 ' HG2' ' NE2' ' A' ' 9' ' ' GLN . 19.9 mtm -125.59 6.32 7.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 73.3 111.022 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -137.92 157.96 45.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 71.52 111.035 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.2 t -161.65 -151.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 75.24 110.382 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.3 p -143.69 149.42 37.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 64.22 110.399 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -178.76 144.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 74.11 110.265 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -75.74 100.43 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 74.45 109.286 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 m -122.18 165.77 17.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 71.25 109.293 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.477 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -139.79 130.83 14.45 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 44.53 109.963 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.01 163.13 91.44 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.017 -2.493 . . . . 74.13 110.949 0.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 p -77.73 149.54 34.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 72.52 110.408 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.465 ' CA ' ' HE2' ' A' ' 56' ' ' MET . . . -127.28 -147.06 6.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 62.41 110.98 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 56' ' ' MET . 30.1 mt -40.24 139.21 1.07 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 72.1 109.285 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.403 ' N ' HG22 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.0 144.98 30.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.764 . . . . 71.33 110.995 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.61 -19.21 57.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 64.14 109.236 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.37 -2.52 25.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 74.42 110.304 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.464 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 21.5 m-20 -109.46 7.75 24.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 55.31 109.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.539 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -49.63 -49.99 69.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 64.31 109.331 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.04 -9.49 20.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 75.01 110.969 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 10.0 mtm180 -88.12 -36.56 16.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 74.55 110.313 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.0 mm? -73.85 -27.05 60.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 72.32 109.329 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -55.95 131.76 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 64.4 109.27 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.2 m 86.62 -14.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 74.4 110.01 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -99.36 129.86 45.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 74.43 110.981 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.0 mt-30 -83.32 178.48 8.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 71.03 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.432 ' CG1' HD21 ' A' ' 17' ' ' LEU . 13.1 m -109.85 142.44 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 71.1 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.451 ' ND2' ' C ' ' A' ' 59' ' ' MET . 17.9 p30 -92.23 33.88 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 74.21 109.246 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.414 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 9.1 tt0 177.49 149.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 73.31 110.277 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.414 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -66.58 104.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 73.52 109.334 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' ILE . 3.2 t -107.85 102.45 45.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 71.11 109.303 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 162.54 37.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 71.22 111.003 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.412 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 31.3 ttm -57.29 143.6 38.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 72.33 111.017 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 84.93 -4.63 84.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 70.33 111.037 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.2 m -91.1 116.34 28.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.763 . . . . 73.33 110.426 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.6 m -49.98 144.63 6.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 73.04 110.374 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.423 ' CD2' ' CG1' ' A' ' 5' ' ' VAL . 8.2 tp -91.59 133.43 35.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 74.1 109.352 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.491 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 7.3 mmt -119.64 158.08 50.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 72.14 110.96 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.589 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.97 -9.2 20.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.537 1.809 . . . . 74.31 110.97 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -103.66 10.08 36.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 75.51 109.28 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.451 ' C ' ' ND2' ' A' ' 46' ' ' ASN . 35.7 mtm -119.64 8.81 11.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 63.02 111.007 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.467 HG11 ' CD1' ' A' ' 40' ' ' LEU . 52.4 t -124.07 132.07 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 75.03 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.424 ' NZ ' ' HA ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -84.96 149.4 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 74.21 109.315 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.96 12.22 35.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 73.44 110.931 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.608 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 61.8 t80 -79.96 174.61 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 0.735 . . . . 72.43 111.056 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.608 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.58 158.45 0.34 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 74.52 109.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 71.55 111.019 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.299 -0.26 . . . . 72.21 110.299 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.53 114.86 23.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 74.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -101.26 154.43 18.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 74.53 109.958 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.9 135.46 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 74.3 109.267 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.54 125.56 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 72.24 109.261 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.54 105.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 63.54 109.307 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.31 -26.46 68.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 74.42 109.291 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.458 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 4.7 pt20 -154.57 176.17 12.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 65.15 110.328 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 tp -58.69 114.27 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 74.13 109.307 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.7 mt -113.81 108.1 51.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 75.34 109.293 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.491 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.1 Cg_endo -75.04 165.25 31.66 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 74.24 111.012 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.3 tt -68.72 139.98 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 73.53 109.354 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 70.5 28.96 3.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 75.22 109.289 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.491 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 28.6 m -105.36 112.39 25.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 75.05 110.357 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.1 109.12 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 73.22 109.263 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.437 HD22 ' CG1' ' A' ' 45' ' ' VAL . 64.3 mt -55.05 149.08 12.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 75.4 109.316 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 p -142.61 161.64 37.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 65.2 110.419 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.8 tp -66.15 -12.78 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 75.43 109.286 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.6 m -99.46 1.12 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 73.14 109.28 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.419 ' HG2' ' NE2' ' A' ' 9' ' ' GLN . 16.9 mtm -125.67 10.83 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 75.44 111.028 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.1 mtm -140.74 157.43 45.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 75.4 110.979 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 24' ' ' THR . 9.2 t -161.97 -167.51 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 70.32 110.427 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.436 ' N ' ' OG1' ' A' ' 23' ' ' THR . 25.8 p -128.62 151.33 49.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 74.42 110.402 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 177.86 136.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 74.23 110.331 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -70.2 105.16 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 71.02 109.302 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 m -126.56 166.49 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 74.11 109.274 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.47 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.6 t -139.36 130.64 14.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 74.42 110.01 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.47 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.97 162.71 92.31 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.011 -2.495 . . . . 75.31 110.982 -0.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -80.51 149.76 29.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 74.13 110.419 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.446 ' CA ' ' HE3' ' A' ' 56' ' ' MET . . . -125.63 -145.41 6.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.117 . . . . 71.51 111.017 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 56' ' ' MET . 69.9 mt -44.17 139.86 3.04 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 73.33 109.301 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.404 ' N ' HG23 ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.04 147.36 33.66 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 64.43 111.006 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.02 -19.74 54.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 73.14 109.278 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.7 -4.51 27.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 63.44 110.281 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.48 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 10.0 m-20 -106.19 4.84 29.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 72.12 109.314 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.543 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.95 -49.96 80.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 73.51 109.337 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -1.44 11.23 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 72.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 67.8 mtp180 -97.54 -41.15 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 75.42 110.247 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 3.9 mm? -68.46 -26.44 65.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 74.35 109.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.14 130.4 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 74.51 109.311 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 87.23 -15.69 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 61.23 109.943 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.462 ' CE ' HG13 ' A' ' 60' ' ' VAL . 1.5 mtm -99.13 129.69 45.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 63.34 110.978 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.8 mt-30 -80.89 177.82 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 73.43 110.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.437 ' CG1' HD22 ' A' ' 17' ' ' LEU . 3.0 m -108.34 143.0 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 75.4 109.272 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 59' ' ' MET . 20.3 p30 -92.62 32.79 1.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 74.44 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.442 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 9.6 tt0 175.75 148.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 75.34 110.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.412 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.9 t -64.2 106.95 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 72.23 109.287 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 t -108.83 101.7 45.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 75.01 109.277 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 162.68 36.74 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 72.41 110.957 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.458 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 32.0 ttm -59.82 143.53 50.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 74.01 110.987 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.404 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 85.45 -9.97 65.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.566 1.166 . . . . 71.13 110.988 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.9 m -87.56 115.05 24.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 61.23 110.409 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 39.1 m -49.73 144.46 6.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 74.11 110.38 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.0 tp -91.76 135.84 33.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 74.25 109.29 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.505 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 11.2 mmt -117.94 158.69 45.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 72.34 111.004 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.97 -8.6 20.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 74.5 111.007 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.91 1.65 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 75.34 109.336 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.457 ' C ' ' ND2' ' A' ' 46' ' ' ASN . 34.3 mtm -111.26 9.67 21.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 71.22 110.965 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 40' ' ' LEU . 86.6 t -124.29 134.5 66.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 74.23 109.299 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.428 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -88.16 150.03 23.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 73.44 109.284 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.43 14.3 33.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 70.33 111.026 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 53.2 t80 -83.73 173.6 11.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 73.41 111.011 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.6 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 162.25 159.28 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 55.25 109.269 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.47 1.774 . . . . 74.43 110.965 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.331 -0.248 . . . . 74.44 110.331 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -98.06 112.32 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 74.2 110.305 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.2 m -100.9 149.66 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 65.41 109.974 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 23' ' ' THR . 60.3 t -59.2 140.19 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 74.01 109.274 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -136.55 128.48 44.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 75.42 109.294 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.3 105.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 73.34 109.288 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.22 -27.4 69.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 70.31 109.287 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.34 -174.59 4.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 73.15 110.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tp -71.58 104.72 3.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 75.22 109.302 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.462 HG23 ' CD2' ' A' ' 17' ' ' LEU . 22.5 mt -101.6 109.98 60.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 63.04 109.253 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.04 170.68 19.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.459 1.768 . . . . 63.43 110.982 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 tt -70.92 144.66 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 71.24 109.324 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.434 ' N ' HD21 ' A' ' 14' ' ' ASN . 1.4 m-80 60.96 36.11 18.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 72.03 109.286 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.492 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 48.2 m -110.89 110.88 21.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 72.51 110.382 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -50.5 111.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 65.03 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.462 ' CD2' HG23 ' A' ' 11' ' ' ILE . 61.4 mt -57.52 150.14 19.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 61.43 109.31 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 p -143.51 161.29 38.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 73.44 110.387 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.534 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 8.0 tp -65.38 -17.79 64.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 75.04 109.349 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.79 1.28 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 72.32 109.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.454 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 43.9 mtm -125.51 5.9 7.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 74.44 111.042 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 67.4 mtm -135.17 157.27 47.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 74.25 110.967 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 24' ' ' THR . 9.8 t -161.72 -170.11 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 64.21 110.415 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.443 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.6 p -125.41 151.26 46.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 72.22 110.392 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? 179.11 129.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 74.04 110.296 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -67.15 90.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 73.42 109.261 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.484 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 13.6 m -108.61 165.44 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 75.24 109.325 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.446 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 6.3 t -137.32 130.49 17.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 73.44 110.006 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.94 162.8 92.09 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.04 -2.484 . . . . 75.13 110.997 -0.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -77.34 149.29 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 74.41 110.427 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.462 ' CA ' ' HE2' ' A' ' 56' ' ' MET . . . -126.75 -143.6 5.88 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.466 1.104 . . . . 72.35 110.995 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 56' ' ' MET . 67.1 mt -43.82 139.73 2.79 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 70.31 109.346 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 144.06 29.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.791 . . . . 65.11 110.997 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -19.82 55.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 73.14 109.262 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -3.64 25.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 65.33 110.285 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.483 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 18.9 m-20 -108.28 5.56 25.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 71.32 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -50.07 -49.63 74.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 74.11 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.05 -8.64 20.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.511 1.795 . . . . 73.24 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 15.5 mtm180 -89.15 -37.87 14.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 74.02 110.319 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 3.9 mm? -72.64 -26.28 61.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 73.3 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.27 131.32 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 75.51 109.329 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER 86.05 -13.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 73.41 109.987 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.47 ' CE ' HG11 ' A' ' 60' ' ' VAL . 1.6 mtm -99.82 127.04 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 74.52 110.989 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.1 mt-30 -77.96 179.48 6.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 72.43 110.277 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.459 ' CG1' HD22 ' A' ' 17' ' ' LEU . 2.9 m -112.18 143.8 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.45 109.305 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 46' ' ' ASN . 24.2 p30 -92.65 32.55 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 74.25 109.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.442 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 9.1 tt0 176.04 149.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 74.23 110.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.416 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -66.2 106.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 62.41 109.273 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.9 t -109.23 101.05 43.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 74.11 109.35 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 166.96 28.1 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.486 1.782 . . . . 50.24 110.976 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.7 ttp -61.04 147.43 43.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 75.44 111.015 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.3 -9.86 60.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 74.24 111.012 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.3 m -87.12 115.37 24.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 74.24 110.382 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.484 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 97.0 m -49.55 144.29 6.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 73.42 110.423 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.26 130.19 34.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 63.14 109.268 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.5 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.9 mmt -116.29 154.17 48.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 75.5 110.975 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.01 -11.81 21.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.555 1.818 . . . . 74.43 111.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -100.94 10.36 41.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 73.32 109.28 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.469 ' HE3' ' CG ' ' A' ' 56' ' ' MET . 35.4 mtm -120.77 9.37 10.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 75.14 111.006 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 94.7 t -122.67 132.93 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 74.11 109.312 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.455 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -85.36 149.08 25.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 75.13 109.3 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.17 14.53 33.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.547 1.154 . . . . 72.01 110.97 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 69.2 t80 -80.68 174.96 11.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 0.761 . . . . 74.54 111.008 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.565 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 171.77 158.88 0.24 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 71.24 109.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 72.14 111.002 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.294 -0.261 . . . . 63.11 110.294 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -91.46 113.7 26.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 73.3 110.278 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m -101.28 149.8 23.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 75.44 109.961 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.28 139.39 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 74.54 109.304 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.4 t -136.37 128.93 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 71.44 109.316 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.24 105.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 75.12 109.304 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.18 -26.48 68.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 71.43 109.306 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.446 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 4.2 pt20 -156.52 175.13 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 75.32 110.306 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tp -55.84 118.08 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 73.33 109.269 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' VAL . 13.0 mt -120.05 108.03 39.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.088 . . . . 71.43 109.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.494 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.02 172.06 17.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 70.35 111.013 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 47' ' ' GLN . 13.1 tt -73.4 140.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 74.12 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 69.77 30.6 3.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 72.15 109.304 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.494 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 37.1 m -105.91 112.75 25.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 63.35 110.392 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.72 112.14 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 72.41 109.244 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.438 HD22 ' CG1' ' A' ' 45' ' ' VAL . 68.9 mt -57.31 149.22 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 72.31 109.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 p -142.39 160.83 39.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 75.31 110.413 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.509 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.0 tp -66.42 -11.12 50.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 75.33 109.302 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.57 2.37 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 73.22 109.34 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.405 ' HG2' ' NE2' ' A' ' 9' ' ' GLN . 23.3 mtm -125.52 8.75 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 71.54 111.023 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.417 ' SD ' ' CB ' ' A' ' 40' ' ' LEU . 77.9 mtm -137.63 156.63 47.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 74.42 111.019 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 24' ' ' THR . 9.5 t -161.09 -167.19 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 72.33 110.421 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.437 ' N ' ' OG1' ' A' ' 23' ' ' THR . 24.9 p -127.93 152.38 47.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 75.43 110.383 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 178.02 132.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 65.24 110.294 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.84 91.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 74.44 109.31 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.487 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 12.8 m -110.19 165.03 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 70.23 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.444 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 4.1 t -137.52 130.66 17.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 62.14 110.017 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.93 162.59 92.51 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.048 -2.48 . . . . 72.41 111.017 -0.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -75.82 151.25 37.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 73.21 110.379 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.441 ' CA ' ' HE2' ' A' ' 56' ' ' MET . . . -127.98 -143.98 5.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 64.51 111.034 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 36' ' ' ASP . 91.0 mt -45.65 141.24 4.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 75.12 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.415 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.96 149.82 37.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.802 . . . . 74.12 111.024 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.25 -15.43 47.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 70.12 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.81 -6.04 50.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 73.15 110.298 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.456 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . 16.4 m-20 -102.52 -3.13 27.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 64.31 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.538 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -44.67 -50.04 25.24 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 73.41 109.299 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.98 -17.62 19.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 64.11 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.464 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 67.0 mtp180 -79.99 -30.31 39.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 75.54 110.36 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.49 ' CD1' ' CG1' ' A' ' 60' ' ' VAL . 3.5 mm? -78.23 -29.84 48.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 74.54 109.268 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.2 mm -50.79 127.17 6.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 72.21 109.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.7 p 89.92 -29.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 60.53 110.026 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.412 ' CE ' HG12 ' A' ' 60' ' ' VAL . 2.3 mtm -84.46 130.17 34.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 74.34 111.017 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.5 mt-30 -83.01 -179.0 7.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 72.22 110.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.438 ' CG1' HD22 ' A' ' 17' ' ' LEU . 2.5 m -111.02 143.21 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 74.32 109.258 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -92.39 31.85 1.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 62.23 109.328 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.446 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 9.3 tt0 177.29 149.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 71.23 110.323 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.408 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.9 t -66.65 104.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 71.31 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 11' ' ' ILE . 11.7 t -106.74 104.48 51.46 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 74.02 109.303 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.76 28.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 74.31 110.978 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.446 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 34.8 ttm -61.85 145.39 52.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 72.42 111.0 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.415 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 84.29 -11.53 57.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 51.42 111.008 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.4 m -82.66 117.29 22.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 0.723 . . . . 65.25 110.403 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.487 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 99.8 m -49.67 144.12 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 62.3 110.413 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.45 125.63 34.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 72.4 109.329 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.469 ' CG ' ' HE2' ' A' ' 59' ' ' MET . 7.9 mmt -110.79 154.45 43.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 75.24 111.003 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.604 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.1 Cg_endo -75.02 -15.4 20.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 75.13 110.989 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -99.92 12.34 37.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 74.42 109.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.469 ' HE2' ' CG ' ' A' ' 56' ' ' MET . 27.0 mtm -120.94 10.76 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 63.44 111.006 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.49 ' CG1' ' CD1' ' A' ' 40' ' ' LEU . 45.4 t -125.87 136.93 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 72.24 109.314 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.437 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -89.89 142.83 27.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.42 109.297 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.21 15.21 67.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.092 . . . . 63.34 110.982 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.622 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 45.8 t80 -86.39 173.64 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 75.21 111.02 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.622 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 161.85 160.45 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 71.32 109.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 64.12 111.031 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.332 -0.248 . . . . 75.13 110.332 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -87.62 117.34 26.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 75.05 110.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 m -102.64 154.24 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 72.42 109.97 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.46 136.84 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 75.23 109.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.9 t -131.88 125.15 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 70.31 109.315 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.72 105.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 72.35 109.313 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.07 -27.95 69.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 72.5 109.334 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.448 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 0.2 OUTLIER -148.16 175.91 10.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 73.22 110.293 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 tp -63.59 103.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 75.22 109.277 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.413 ' CD1' ' O ' ' A' ' 21' ' ' MET . 18.7 mt -99.67 109.14 54.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 75.34 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.4 Cg_endo -74.99 169.14 23.29 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.497 1.788 . . . . 74.23 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 tt -71.19 141.83 16.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 71.02 109.324 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 66.78 31.41 7.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 75.14 109.298 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.486 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 26.7 m -107.34 112.11 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 75.21 110.373 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.411 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.92 110.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 72.53 109.31 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.408 HD22 ' CG1' ' A' ' 45' ' ' VAL . 62.5 mt -56.96 148.02 22.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 72.52 109.256 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.7 p -141.3 161.68 37.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 64.45 110.365 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.55 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.2 tp -66.15 -13.09 59.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 73.14 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -98.24 0.45 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 72.01 109.301 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.413 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 34.0 mtm -125.59 9.31 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 74.43 111.014 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.436 ' CE ' HG12 ' A' ' 41' ' ' ILE . 75.3 mtm -137.14 154.8 50.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 73.23 111.007 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 24' ' ' THR . 9.2 t -161.62 -173.2 3.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 74.41 110.402 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.429 ' N ' ' OG1' ' A' ' 23' ' ' THR . 18.3 p -123.72 149.17 45.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 73.03 110.446 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? 179.89 132.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 75.45 110.299 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 t -65.7 106.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 74.44 109.29 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.501 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 12.4 m -128.12 165.17 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 70.55 109.334 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.474 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.0 t -138.38 130.75 16.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 74.23 110.016 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.0 162.78 92.18 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.027 -2.489 . . . . 72.33 110.999 0.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 p -79.85 150.28 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 75.53 110.391 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.454 ' CA ' ' HE2' ' A' ' 56' ' ' MET . . . -126.44 -146.37 6.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 65.03 110.977 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 56' ' ' MET . 62.7 mt -43.76 139.74 2.74 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.457 0.739 . . . . 74.45 109.275 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.77 34.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 74.55 110.992 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.11 -19.74 54.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 74.22 109.305 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -71.61 -4.48 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 71.11 110.31 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.481 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 8.9 m-20 -106.55 4.71 28.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 71.35 109.323 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.26 -49.72 83.38 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 73.45 109.319 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.04 -1.52 11.34 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 73.44 111.006 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 66.0 mtp180 -97.6 -41.2 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 71.23 110.305 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 3.9 mm? -68.35 -26.56 65.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 72.41 109.334 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.55 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.5 mm -55.64 130.17 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 70.22 109.269 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 87.56 -16.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 72.24 109.991 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.467 ' CE ' HG13 ' A' ' 60' ' ' VAL . 1.5 mtm -98.2 129.62 44.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 75.14 111.007 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.2 mt-30 -80.57 179.05 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 73.2 110.302 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.442 ' O ' ' CE ' ' A' ' 61' ' ' LYS . 2.5 m -109.73 143.23 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 71.2 109.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -92.4 32.96 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 72.3 109.301 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.449 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 8.9 tt0 175.32 149.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 75.13 110.299 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.409 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.5 t -66.36 107.41 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.32 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.8 t -106.03 104.43 49.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 75.23 109.267 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 151.19 39.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 63.32 110.984 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.448 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 32.8 ttm -50.03 142.91 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 73.42 110.993 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 85.95 -12.32 60.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.559 1.162 . . . . 71.32 110.982 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.4 m -83.93 115.41 22.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 63.44 110.379 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.501 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 45.3 m -50.67 142.94 10.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 74.42 110.437 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mt -89.47 134.41 34.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 74.01 109.319 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.505 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 7.0 mmt -116.76 158.08 44.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 74.43 110.977 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.97 -9.96 21.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.821 . . . . 75.33 111.055 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -104.63 11.44 34.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 73.54 109.32 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.449 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 32.5 mtm -120.75 5.11 10.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 74.3 111.011 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' A' ' 40' ' ' LEU . 96.4 t -119.33 137.22 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 74.21 109.301 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -89.69 146.75 24.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 72.43 109.294 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.64 16.05 54.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.55 1.156 . . . . 71.53 111.029 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.607 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 50.3 t80 -85.32 173.6 10.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 74.23 110.973 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.607 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 161.96 160.44 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 60.21 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 72.42 110.99 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.265 -0.272 . . . . 72.31 110.265 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -85.33 112.81 21.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 72.21 110.292 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.97 149.46 24.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 73.25 110.02 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.439 ' CG1' HD22 ' A' ' 55' ' ' LEU . 61.1 t -61.34 135.86 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 72.1 109.283 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.9 t -132.81 124.14 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 62.41 109.312 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.34 105.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 74.22 109.327 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.31 -26.04 68.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 65.12 109.275 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.463 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 1.5 pt20 -156.62 169.81 23.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 72.32 110.324 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.8 tp -49.34 128.05 16.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 73.01 109.279 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' VAL . 14.9 mt -130.26 106.2 16.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 73.04 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.504 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.05 173.31 14.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.504 1.792 . . . . 75.53 110.969 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 tt -67.75 143.67 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 71.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.516 ' N ' HD21 ' A' ' 14' ' ' ASN . 1.2 m-80 60.96 40.34 15.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 75.21 109.338 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.504 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 18.3 m -106.65 108.85 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 72.15 110.372 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -51.9 105.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 75.23 109.331 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.431 HD23 ' CG1' ' A' ' 45' ' ' VAL . 67.2 mt -55.43 148.05 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 72.33 109.317 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -143.39 162.21 36.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 75.35 110.362 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.0 tp -66.86 -12.09 57.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 75.12 109.256 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.77 1.03 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 74.3 109.335 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.4 mtm -125.52 9.59 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 71.01 111.01 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -138.36 157.91 45.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 74.4 111.005 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -161.69 -173.65 3.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 72.13 110.343 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -124.48 150.11 46.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 72.51 110.392 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 179.27 129.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 75.33 110.302 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 t -63.87 102.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 75.01 109.289 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.448 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 13.4 m -122.56 165.68 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 74.11 109.301 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.445 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.6 t -137.55 130.43 16.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 74.4 110.006 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.0 162.47 92.79 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.947 -2.522 . . . . 62.54 111.047 -0.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -78.9 144.51 34.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 75.23 110.416 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.435 ' CA ' ' HE3' ' A' ' 56' ' ' MET . . . -122.58 -144.6 6.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 70.33 111.008 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 56' ' ' MET . 13.9 mt -41.38 137.44 1.69 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 73.05 109.329 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.97 29.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 70.21 110.992 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.37 -19.64 56.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 75.02 109.281 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.01 -3.43 26.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 65.32 110.294 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.488 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 19.6 m-20 -108.93 6.28 25.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 74.11 109.275 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.551 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.14 -49.55 83.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 63.15 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.98 -2.05 12.03 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 73.25 111.001 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 18.4 mtm180 -97.38 -39.92 8.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 75.03 110.303 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 3.9 mm? -69.63 -25.83 64.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 74.34 109.304 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.06 131.3 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 73.11 109.315 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.2 t 86.39 -14.05 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 70.52 109.962 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.469 ' CE ' HG13 ' A' ' 60' ' ' VAL . 1.4 mtm -99.38 130.68 45.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 71.53 111.029 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 4.9 mt-30 -82.84 174.0 11.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.32 110.317 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.434 ' O ' ' CE ' ' A' ' 61' ' ' LYS . 5.0 m -105.33 144.0 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 75.23 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.454 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 20.2 p30 -93.37 34.34 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 73.14 109.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 10.0 tt0 175.77 151.21 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 71.33 110.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.412 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 3.3 t -68.88 102.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 72.13 109.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' ILE . 10.6 t -103.55 106.67 53.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 74.53 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 162.25 37.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 74.21 111.01 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 30.5 ttm -61.96 143.04 57.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 74.51 110.958 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 85.99 -9.32 69.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 70.34 111.055 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.8 m -87.96 116.97 26.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 63.22 110.418 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.448 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 79.5 m -49.65 144.05 6.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 75.12 110.436 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.439 HD22 ' CG1' ' A' ' 5' ' ' VAL . 7.8 tp -91.41 137.16 32.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 74.25 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.486 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 7.1 mmt -118.88 157.93 49.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 63.12 111.041 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.597 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -8.57 20.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.781 . . . . 72.43 111.043 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.28 0.01 33.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 70.32 109.317 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.453 ' C ' ' ND2' ' A' ' 46' ' ' ASN . 37.9 mtm -109.75 11.24 24.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 74.4 111.028 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 96.2 t -124.52 135.3 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 73.5 109.312 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -88.35 149.92 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 74.12 109.298 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.4 14.57 27.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 62.45 111.075 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 63.6 t80 -80.42 174.53 11.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.783 . . . . 75.44 111.013 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.583 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.4 159.93 0.34 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 65.23 109.313 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 75.04 111.036 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.301 -0.259 . . . . 75.33 110.301 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -93.66 115.31 27.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 74.43 110.315 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 m -102.43 149.24 24.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 70.42 109.98 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.19 138.87 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 71.3 109.315 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.5 t -135.79 126.66 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 71.34 109.279 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.18 106.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 61.32 109.265 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.58 -25.8 68.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 54.51 109.272 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.445 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 4.0 pt20 -156.5 178.28 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 73.52 110.301 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 tp -59.08 113.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 72.32 109.322 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 49' ' ' VAL . 17.6 mt -113.07 107.84 53.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.44 109.254 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.5 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.01 171.05 19.07 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 75.03 111.002 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 tt -72.15 146.0 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 73.44 109.348 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.442 ' OD1' ' NZ ' ' A' ' 61' ' ' LYS . 7.8 m-80 63.4 28.55 15.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 75.22 109.273 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.5 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 31.8 m -104.19 111.74 24.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 74.41 110.397 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.59 111.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 61.23 109.277 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.456 HD23 ' CG1' ' A' ' 45' ' ' VAL . 55.1 mt -55.93 149.78 14.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 72.53 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.6 p -143.42 161.5 38.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 74.22 110.363 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.541 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.4 tp -65.61 -15.35 62.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 72.24 109.307 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 m -96.15 1.0 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 74.34 109.293 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.8 mtm -125.61 6.76 7.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 73.54 110.993 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.2 mtm -138.61 157.5 46.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 73.02 110.991 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.4 t -161.47 -155.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 75.34 110.408 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.9 p -138.31 152.89 48.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 75.22 110.46 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? 176.78 136.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 75.13 110.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.9 100.08 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 71.51 109.332 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.2 m -120.26 166.47 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 74.23 109.269 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.473 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -139.48 130.74 14.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 73.41 110.028 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.96 162.7 92.32 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.965 -2.514 . . . . 70.44 111.033 -0.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -77.91 150.3 34.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 75.43 110.385 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.456 ' CA ' ' HE2' ' A' ' 56' ' ' MET . . . -126.87 -143.61 5.86 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.505 1.128 . . . . 71.42 111.033 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.404 ' CD1' HG21 ' A' ' 60' ' ' VAL . 88.4 mt -45.64 140.4 4.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.431 0.724 . . . . 75.2 109.264 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 145.73 32.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.449 1.763 . . . . 75.43 110.99 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.41 -20.87 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 75.22 109.267 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.01 -5.22 29.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 64.33 110.331 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.458 ' OD1' ' NH2' ' A' ' 39' ' ' ARG . 12.8 m-20 -105.99 6.44 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 61.55 109.346 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -49.53 -50.04 68.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 75.44 109.292 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -10.52 21.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.568 1.825 . . . . 72.1 110.996 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 13.2 mtm180 -86.38 -36.49 19.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 73.34 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 60' ' ' VAL . 4.1 mm? -74.53 -27.21 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.23 109.338 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.541 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -55.96 130.82 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 70.34 109.321 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.3 m 86.52 -14.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 63.2 110.01 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.467 ' CE ' HG13 ' A' ' 60' ' ' VAL . 1.5 mtm -99.97 127.71 46.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 74.32 110.995 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 4.2 mt-30 -79.45 -179.83 7.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 74.02 110.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.456 ' CG1' HD23 ' A' ' 17' ' ' LEU . 3.7 m -112.76 143.67 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 74.15 109.274 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.503 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 17.1 p30 -91.87 33.32 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 73.04 109.356 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.442 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 9.1 tt0 175.66 148.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 65.3 110.286 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.408 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -66.95 104.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 74.13 109.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' ILE . 13.8 t -106.64 105.35 54.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 71.44 109.333 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 166.5 29.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 73.52 110.998 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.445 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 16.6 ttp -62.21 146.7 50.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 72.3 111.037 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.2 -9.45 60.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 61.11 110.992 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.0 m -85.39 118.56 25.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 75.12 110.379 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.8 m -50.26 144.05 7.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 75.44 110.394 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.66 125.99 35.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 72.43 109.324 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.456 ' HE2' ' CA ' ' A' ' 31' ' ' GLY . 5.9 mmt -112.41 153.99 44.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 73.3 110.958 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.625 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.02 -8.81 20.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 74.15 110.979 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.19 0.26 40.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 71.24 109.328 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.446 ' HE3' ' CG ' ' A' ' 56' ' ' MET . 43.9 mtm -114.11 20.87 15.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.53 111.003 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.503 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 95.6 t -132.81 128.82 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 73.22 109.266 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -83.18 150.41 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 71.42 109.315 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.7 14.96 24.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 51.52 110.995 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 66.7 t80 -80.21 174.71 11.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 0.785 . . . . 74.21 110.996 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.566 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 175.03 159.66 0.37 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 65.15 109.321 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.113 0 O-C-N 124.479 1.778 . . . . 73.55 110.966 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.492 0.187 . . . . 74.32 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -115.62 131.4 56.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 72.04 109.275 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -76.56 114.13 14.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 72.31 110.327 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -90.89 114.67 27.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 73.02 110.281 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.2 m -101.93 155.46 18.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 71.32 109.981 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 81.1 t -64.17 136.13 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 70.21 109.309 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.1 t -132.46 124.58 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 71.45 109.317 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.73 106.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 72.02 109.289 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.38 -25.99 68.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 62.03 109.275 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.463 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 3.4 pt20 -157.71 173.11 17.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 74.04 110.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.5 tp -48.67 131.55 17.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 75.04 109.283 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 49' ' ' VAL . 9.9 mt -135.99 104.02 9.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 75.45 109.274 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.0 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 62.44 111.019 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 47' ' ' GLN . 3.0 tt -68.26 139.71 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 64.21 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 66.02 38.85 4.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 63.52 109.318 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 15.9 m -106.03 110.5 22.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 64.45 110.386 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.41 107.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.23 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.3 mt -58.02 147.79 28.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 63.13 109.348 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.8 p -143.49 162.1 36.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 71.53 110.391 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.552 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.3 tp -66.32 -11.82 53.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 71.33 109.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 m -100.37 0.18 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 74.31 109.336 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.0 mtm -125.29 10.52 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 73.41 110.989 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.1 mtm -139.96 155.65 47.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 63.22 111.008 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 24' ' ' THR . 9.8 t -161.63 -169.3 2.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 65.01 110.418 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.446 ' N ' ' OG1' ' A' ' 23' ' ' THR . 17.9 p -127.09 148.89 50.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 72.11 110.416 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -178.17 137.89 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 74.03 110.323 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 t -70.21 101.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 75.4 109.287 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.497 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 11.5 m -123.54 164.84 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 74.53 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.446 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.5 t -139.0 130.99 15.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 73.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.0 162.74 92.24 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.005 -2.498 . . . . 74.13 111.017 -0.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 p -79.04 150.28 31.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 74.53 110.441 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.65 -145.7 6.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 71.2 110.996 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 56' ' ' MET . 68.0 mt -43.37 139.7 2.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 72.31 109.285 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 146.85 33.06 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.454 1.765 . . . . 65.32 110.989 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.2 -19.95 56.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 70.33 109.325 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.46 -4.87 28.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 64.2 110.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.471 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 13.7 m-20 -106.36 5.15 29.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 74.43 109.307 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.19 -50.2 80.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 73.12 109.293 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.96 -2.07 12.05 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.491 1.785 . . . . 75.41 111.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 69.2 mtp180 -97.4 -38.86 9.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 75.42 110.32 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.476 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.0 mm? -70.85 -25.57 62.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 73.45 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.552 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.26 130.42 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 72.05 109.293 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.3 t 86.9 -14.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 72.33 109.998 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.433 ' CE ' HG11 ' A' ' 60' ' ' VAL . 1.5 mtm -98.66 131.0 45.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 74.34 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.2 mt-30 -84.02 174.67 10.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 71.54 110.293 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.7 m -104.19 152.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 75.33 109.308 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.494 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 27.1 p30 -101.72 29.35 4.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 74.12 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.444 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 7.9 tt0 -179.92 151.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 75.15 110.292 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 3.4 t -69.65 100.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 72.22 109.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' ILE . 2.9 t -102.64 107.23 53.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 73.22 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 159.98 40.55 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.466 1.772 . . . . 75.24 110.96 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 31.6 ttm -56.94 142.67 40.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 74.51 110.99 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 86.1 -11.28 63.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.452 1.095 . . . . 54.23 111.039 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.5 m -83.69 114.64 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 71.51 110.384 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.497 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 56.5 m -49.68 141.87 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 75.23 110.409 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mt -89.25 134.07 34.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 75.44 109.303 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.499 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 8.6 mmt -115.06 157.88 42.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 73.22 110.976 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.591 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.03 -9.33 20.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 71.31 111.009 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -106.44 11.95 30.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 72.12 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.444 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 28.0 mtm -120.83 8.67 10.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 70.11 110.968 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 40' ' ' LEU . 96.7 t -120.87 134.5 64.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 74.34 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.494 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.8 mtpp -89.84 131.29 35.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 75.12 109.275 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.25 18.68 75.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.15 . . . . 50.33 110.988 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.591 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 58.2 t80 -89.53 173.84 8.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 75.01 111.011 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.568 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 161.64 159.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 72.1 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.792 . . . . 74.42 111.037 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 73.04 109.288 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.6 ttm . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.521 0.2 . . . . 74.24 110.958 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -132.21 121.76 24.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 72.45 109.284 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -96.1 113.39 25.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 75.23 110.304 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -83.76 113.19 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 74.34 110.306 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.6 m -101.85 152.67 20.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.43 110.009 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 72.0 t -60.7 139.33 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 74.54 109.312 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -136.57 128.74 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 73.12 109.321 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.87 106.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 63.43 109.296 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.04 68.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 72.13 109.333 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.468 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 7.5 pt20 -157.83 177.05 11.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 75.12 110.312 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 tp -56.99 119.35 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 74.52 109.301 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.6 mt -120.14 109.08 37.55 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 71.24 109.345 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.99 171.02 19.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.789 . . . . 64.4 110.977 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.4 tt -73.04 139.5 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 75.01 109.28 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 69.8 31.79 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 70.31 109.338 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.485 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 28.9 m -106.36 111.39 23.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 71.21 110.388 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.41 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.75 109.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 62.21 109.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.401 HD22 ' CG1' ' A' ' 45' ' ' VAL . 62.0 mt -54.73 149.27 11.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 64.33 109.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.5 p -142.92 161.94 36.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 73.13 110.393 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.8 tp -66.28 -12.74 58.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 72.22 109.28 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.431 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 2.4 m -99.3 0.98 10.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 73.22 109.272 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 15.3 mtm -125.62 10.33 7.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 73.34 111.021 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.2 mtm -140.21 155.89 46.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.44 110.954 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 24' ' ' THR . 8.8 t -161.77 -166.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 74.02 110.429 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.434 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.3 p -127.58 152.11 48.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 73.34 110.409 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 179.62 139.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 75.41 110.301 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.55 92.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 73.12 109.327 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.5 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 9.2 m -113.28 163.37 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 74.53 109.273 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.458 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.74 131.35 15.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 71.31 109.967 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.93 162.64 92.41 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.005 -2.498 . . . . 75.21 111.058 -0.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -75.85 153.07 37.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 73.12 110.408 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.431 ' CA ' ' HE3' ' A' ' 56' ' ' MET . . . -128.39 -140.91 5.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 55.11 110.976 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 56' ' ' MET . 38.7 mt -48.21 142.39 7.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 74.31 109.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.03 146.41 32.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 63.3 110.962 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.15 -20.1 62.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 75.52 109.305 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.84 -5.81 40.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 74.15 110.356 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.46 ' OD1' ' NH2' ' A' ' 39' ' ' ARG . 18.4 m-20 -105.16 2.62 29.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 73.32 109.281 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -47.6 -49.29 56.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 72.21 109.319 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.0 -13.7 21.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 72.11 110.992 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 12.8 mtm180 -83.56 -34.01 25.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 74.35 110.344 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD11 ' CG2' ' A' ' 60' ' ' VAL . 3.7 mm? -75.25 -27.01 59.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 73.15 109.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.7 mm -55.76 130.91 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.23 109.282 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 86.33 -14.75 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 65.21 109.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.461 ' CE ' HG11 ' A' ' 60' ' ' VAL . 1.6 mtm -97.97 127.39 43.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 74.43 111.004 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.6 mt-30 -80.86 179.66 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 73.33 110.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.401 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.4 m -110.73 150.33 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 63.05 109.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 17.9 p30 -99.38 27.55 5.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 75.33 109.307 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.425 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 8.3 tt0 -178.63 147.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 74.34 110.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.65 102.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 75.4 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.9 t -104.99 105.47 51.58 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 70.14 109.31 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.81 26.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 73.03 111.011 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.468 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 8.3 ttp -64.69 148.53 50.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 73.24 111.009 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.46 -7.21 61.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 63.05 111.052 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.5 m -88.77 119.13 28.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 72.41 110.377 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.5 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 87.5 m -49.72 144.4 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 73.11 110.37 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.406 HD11 ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -89.12 124.9 34.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 65.24 109.302 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.471 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 8.2 mmt -108.52 152.94 42.34 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 73.53 111.006 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -14.57 21.14 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.475 1.776 . . . . 74.01 111.02 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -100.96 12.75 37.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 65.15 109.294 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.461 ' HE1' ' CG ' ' A' ' 56' ' ' MET . 24.5 mtm -120.61 7.4 10.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 75.11 111.02 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.466 ' CG2' HD11 ' A' ' 40' ' ' LEU . 42.7 t -121.58 135.11 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 75.15 109.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.487 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.8 mtpp -89.49 136.2 33.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 73.51 109.275 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.65 15.48 81.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 72.24 110.999 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 45.4 t80 -87.79 174.38 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 74.34 111.024 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.623 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.02 159.69 0.32 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 63.11 109.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -162.24 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 74.4 111.052 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 61.32 109.282 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.2 ptp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.511 0.196 . . . . 71.32 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -80.33 128.86 34.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 75.11 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -48.83 116.25 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 74.34 110.27 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -96.84 115.9 28.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 74.41 110.309 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.9 m -101.45 150.46 23.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 73.05 110.009 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.456 HG12 ' CD2' ' A' ' 55' ' ' LEU . 78.0 t -61.11 134.44 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 62.3 109.31 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.2 t -129.86 126.11 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 63.24 109.346 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.91 104.75 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 73.13 109.307 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.9 69.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 62.12 109.321 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.439 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 5.0 pt20 -154.25 176.28 12.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 73.21 110.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.57 119.65 6.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 64.13 109.255 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.46 HG22 ' CD2' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -117.14 105.22 49.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 74.2 109.314 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.99 161.57 38.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 75.52 110.984 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 tt -66.05 140.19 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 74.52 109.306 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 69.68 29.89 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 64.24 109.322 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 32.3 m -106.29 112.07 24.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 75.43 110.461 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.53 109.74 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 73.43 109.336 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.46 ' CD2' HG22 ' A' ' 11' ' ' ILE . 61.7 mt -54.9 149.8 11.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 74.02 109.304 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 p -143.42 161.63 37.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 71.34 110.399 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.0 tp -66.02 -14.78 62.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 70.22 109.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -97.58 1.68 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 71.15 109.289 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.2 mtm -125.67 8.89 7.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 74.32 111.005 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -138.63 158.23 44.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 73.41 110.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.441 ' OG1' ' N ' ' A' ' 24' ' ' THR . 10.3 t -161.77 -167.9 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 73.15 110.403 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.441 ' N ' ' OG1' ' A' ' 23' ' ' THR . 22.1 p -129.44 149.5 51.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 52.35 110.375 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 179.15 135.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 74.11 110.321 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.97 103.2 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 74.22 109.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 m -123.6 167.06 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 54.55 109.284 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.469 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 6.8 t -139.23 130.39 14.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 75.11 109.99 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.95 162.86 91.98 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.988 -2.505 . . . . 70.22 111.028 -0.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -80.5 148.83 30.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.14 110.409 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.464 ' CA ' ' HE1' ' A' ' 56' ' ' MET . . . -126.39 -145.94 6.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 65.1 110.992 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 56' ' ' MET . 66.6 mt -41.3 138.83 1.45 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 74.45 109.329 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 144.94 30.94 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 65.13 110.984 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.28 -20.29 58.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 75.21 109.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.28 -5.16 30.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 73.32 110.282 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.481 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 18.5 m-20 -106.24 6.65 30.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 65.15 109.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.03 -50.28 79.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 74.1 109.298 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.01 -1.91 11.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.436 1.756 . . . . 71.2 110.981 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 16.6 mtm180 -97.23 -38.83 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.44 110.312 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 4.0 mm? -70.78 -26.51 63.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 71.42 109.311 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -55.81 131.22 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 75.51 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.4 t 86.49 -14.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 74.11 109.967 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.47 ' CE ' HG13 ' A' ' 60' ' ' VAL . 1.4 mtm -99.28 128.22 45.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 63.22 110.987 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.3 mt-30 -80.21 179.42 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 74.32 110.304 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.439 ' O ' ' CE ' ' A' ' 61' ' ' LYS . 2.9 m -110.85 143.01 21.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 72.02 109.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -92.72 31.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 74.31 109.28 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.435 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 9.3 tt0 177.73 148.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 70.42 110.252 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.413 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -63.5 106.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 74.23 109.314 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' ILE . 68.0 t -109.31 100.69 42.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.12 109.288 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 168.4 24.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.788 . . . . 74.35 111.013 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.4 ttp -64.74 149.96 48.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 72.53 111.006 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.99 -3.41 65.3 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.134 . . . . 71.12 110.986 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.2 m -95.2 115.48 27.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 0.737 . . . . 75.32 110.376 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 38.6 m -49.77 144.3 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 73.13 110.409 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.456 ' CD2' HG12 ' A' ' 5' ' ' VAL . 9.7 tp -91.15 136.07 33.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 73.41 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.504 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 6.4 mmt -119.37 158.06 49.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 75.5 110.981 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.01 -8.9 20.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 75.34 110.983 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -103.7 10.25 36.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 74.41 109.294 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.469 ' HE1' ' CG ' ' A' ' 56' ' ' MET . 37.5 mtm -120.77 9.04 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 72.24 111.019 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 96.2 t -123.07 133.74 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 73.45 109.297 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -86.69 149.85 24.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 74.34 109.302 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.67 14.21 28.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 65.33 111.006 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 71.0 t80 -80.0 175.06 10.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.798 . . . . 71.42 111.01 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.564 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 172.67 158.92 0.26 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 74.51 109.341 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 62.3 110.988 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 75.03 109.315 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.481 0.181 . . . . 75.41 111.027 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -162.92 135.2 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 73.12 109.313 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -71.72 113.52 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 74.25 110.304 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -89.15 114.75 26.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 74.41 110.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 m -103.39 152.02 22.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 74.3 109.978 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.447 HG11 ' CD2' ' A' ' 55' ' ' LEU . 75.8 t -61.44 135.43 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 72.32 109.263 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.0 t -131.87 125.83 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 75.32 109.285 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.63 105.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 75.12 109.324 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.64 -26.2 68.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 74.32 109.327 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.99 -175.18 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 74.03 110.258 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -72.62 105.4 4.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 75.12 109.289 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 mt -100.1 108.95 54.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 74.42 109.293 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.1 Cg_endo -74.99 168.72 24.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 72.24 110.957 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.46 ' CD1' ' HA ' ' A' ' 47' ' ' GLN . 7.2 tt -70.0 137.68 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 75.22 109.278 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.409 ' ND2' HG12 ' A' ' 13' ' ' ILE . 2.0 m120 66.51 41.42 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 74.53 109.307 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 31.5 m -114.55 110.7 20.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 72.42 110.395 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -49.73 107.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 73.43 109.268 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.458 HD22 ' CG1' ' A' ' 45' ' ' VAL . 58.9 mt -54.34 149.89 9.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 74.11 109.274 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 p -143.34 161.14 39.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 75.41 110.419 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.3 tp -65.41 -17.35 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 75.12 109.271 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -94.29 1.01 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 74.02 109.335 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 27.5 mtm -125.55 6.46 7.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 73.12 110.97 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -139.98 157.17 46.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 74.31 110.983 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.2 t -161.39 -152.03 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 71.23 110.435 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.438 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 30.2 p -141.84 151.06 42.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 75.55 110.412 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? 179.91 143.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 73.03 110.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -74.85 97.46 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 71.35 109.294 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.488 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 8.4 m -119.11 163.0 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 73.32 109.287 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.45 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.9 t -137.54 131.08 17.15 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 70.31 110.001 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.04 162.75 92.22 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.955 -2.519 . . . . 73.13 111.001 -0.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 p -78.16 149.42 33.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 74.04 110.404 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.471 ' CA ' ' HE2' ' A' ' 56' ' ' MET . . . -127.12 -145.73 6.29 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.535 1.147 . . . . 65.4 111.012 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 56' ' ' MET . 59.5 mt -42.26 139.27 1.85 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 75.4 109.313 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 145.77 31.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 74.23 110.991 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.438 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -60.24 -20.14 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 73.11 109.291 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.42 -4.97 29.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 71.13 110.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.479 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 16.7 m-20 -106.37 6.39 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 61.43 109.307 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.528 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -51.86 -50.81 75.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 72.31 109.307 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.97 -1.9 11.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 75.45 111.043 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 16.0 mtm180 -97.0 -38.09 9.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 75.24 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 4.0 mm? -71.85 -26.41 62.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 74.55 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.04 131.29 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 75.31 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 86.46 -14.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 72.31 110.026 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.467 ' CE ' HG13 ' A' ' 60' ' ' VAL . 1.4 mtm -99.24 127.01 45.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.097 . . . . 74.44 110.998 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.9 mt-30 -78.44 179.23 7.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 72.4 110.296 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.458 ' CG1' HD22 ' A' ' 17' ' ' LEU . 4.5 m -108.95 152.49 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 71.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.497 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 18.7 p30 -103.21 28.46 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 70.43 109.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.46 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 8.8 tt0 179.77 148.32 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 71.34 110.344 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.408 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.5 t -65.72 106.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 73.44 109.302 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.3 t -109.41 100.55 42.03 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.33 109.305 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.06 42.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.479 1.778 . . . . 74.55 110.988 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.8 ttp -49.82 147.57 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 75.41 110.99 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.76 -5.58 69.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 70.52 110.981 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.8 m -91.94 116.17 28.69 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 0.763 . . . . 51.42 110.408 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.488 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 94.2 m -51.47 144.41 10.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 63.43 110.377 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.447 ' CD2' HG11 ' A' ' 5' ' ' VAL . 8.8 tp -91.41 134.12 34.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 72.53 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.498 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.5 mmt -119.25 158.2 49.15 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 75.12 110.988 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.586 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.99 -11.08 21.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.772 . . . . 71.33 111.039 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.62 11.51 37.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 73.02 109.304 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.443 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 32.7 mtm -120.96 7.61 10.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 64.22 111.005 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 78.7 t -120.05 139.46 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 71.05 109.307 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.497 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -90.11 148.19 23.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.51 109.32 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.02 16.78 34.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 63.41 110.979 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 71.1 t80 -80.87 174.98 11.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 75.31 110.98 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.561 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 170.68 158.54 0.21 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 72.24 109.336 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -162.23 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.502 1.79 . . . . 72.32 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 72.12 109.313 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.447 ' O ' ' ND2' ' A' ' 1' ' ' ASN . 1.4 tmm? . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.503 0.192 . . . . 75.42 111.025 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 0' ' ' MET . 2.0 m120 -149.95 111.88 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 74.14 109.295 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -68.38 115.96 8.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 74.1 110.273 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -92.48 115.45 28.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 72.15 110.302 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.3 m -101.86 150.51 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 75.53 110.007 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 23' ' ' THR . 64.6 t -59.31 139.61 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 73.35 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.0 t -135.89 127.41 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 74.52 109.267 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.38 105.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 74.54 109.326 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.41 -26.7 68.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 73.31 109.323 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.462 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 2.8 pt20 -156.51 176.93 12.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 60.12 110.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 tp -58.21 114.49 2.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 75.31 109.261 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.408 ' CD1' ' O ' ' A' ' 21' ' ' MET . 14.0 mt -114.63 108.75 48.84 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 73.2 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.49 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.05 167.43 27.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.543 1.812 . . . . 74.31 110.999 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.4 tt -70.48 139.58 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 75.22 109.327 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 70.48 29.63 3.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 73.14 109.345 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.49 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 26.0 m -105.82 111.46 24.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 73.12 110.41 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.41 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.36 107.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 75.24 109.272 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.469 HD21 ' CG1' ' A' ' 45' ' ' VAL . 54.9 mt -53.03 149.87 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 75.32 109.295 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 p -143.53 161.5 38.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 74.33 110.389 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.5 tp -65.96 -14.93 62.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 75.15 109.273 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -97.09 1.62 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 73.02 109.28 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.419 ' HG2' ' NE2' ' A' ' 9' ' ' GLN . 29.0 mtm -125.43 4.47 7.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 75.51 111.005 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.1 mtm -133.64 156.61 47.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 74.45 111.024 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.419 ' OG1' ' N ' ' A' ' 24' ' ' THR . 10.2 t -161.59 -172.32 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 74.23 110.41 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.419 ' N ' ' OG1' ' A' ' 23' ' ' THR . 20.3 p -123.64 150.72 43.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 75.45 110.366 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -179.54 135.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 71.11 110.278 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 t -69.92 92.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 74.55 109.34 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.491 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 12.2 m -111.99 164.96 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 72.22 109.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.453 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 t -138.61 130.85 15.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 70.35 110.013 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.98 162.8 92.12 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.011 -2.495 . . . . 72.41 111.012 -0.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -77.73 149.73 34.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 72.11 110.396 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.91 -143.25 5.78 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.555 1.159 . . . . 75.53 110.95 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 56' ' ' MET . 70.4 mt -43.92 139.52 2.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 75.04 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 145.14 31.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.769 . . . . 62.14 111.01 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.32 58.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 73.22 109.318 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -4.18 27.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 74.5 110.267 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.48 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 13.8 m-20 -107.54 5.76 27.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 70.21 109.323 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.546 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.12 -49.66 83.25 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 75.25 109.299 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -75.0 -2.94 13.19 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 73.42 111.054 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 17.3 mtm180 -96.01 -40.16 9.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 73.22 110.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 3.9 mm? -69.58 -26.42 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 73.05 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -55.83 131.75 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 75.31 109.266 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.6 t 86.31 -14.28 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 73.42 109.994 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.468 ' CE ' HG13 ' A' ' 60' ' ' VAL . 1.3 mtm -99.78 127.75 45.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 72.21 110.998 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.5 mt-30 -78.77 178.74 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 73.43 110.326 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.469 ' CG1' HD21 ' A' ' 17' ' ' LEU . 3.7 m -110.55 144.0 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 74.14 109.277 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.45 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 16.3 p30 -93.27 32.49 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 72.33 109.284 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.411 ' N ' HG13 ' A' ' 13' ' ' ILE . 10.1 tt0 176.24 148.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 74.41 110.263 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.41 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -64.93 107.39 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 64.53 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.2 t -109.8 103.28 52.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 63.32 109.297 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.13 27.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 75.04 111.028 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 35.2 ttm -62.72 145.37 54.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 73.03 111.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.415 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 83.76 -10.04 60.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.554 1.159 . . . . 72.41 111.006 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.1 m -84.36 116.53 23.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 0.735 . . . . 75.11 110.376 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.491 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 97.3 m -49.57 144.5 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 72.23 110.393 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.5 133.23 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 74.23 109.309 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.501 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 7.0 mmt -118.14 154.0 51.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 71.24 110.984 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -9.06 20.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 71.35 111.028 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.16 -0.99 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 73.04 109.343 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.445 ' C ' ' ND2' ' A' ' 46' ' ' ASN . 34.4 mtm -108.38 10.49 27.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 74.02 110.984 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 98.1 t -124.15 131.45 72.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 75.42 109.277 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -84.99 149.6 25.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 74.54 109.311 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.98 15.22 27.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.142 . . . . 71.31 111.01 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 72.7 t80 -79.19 174.57 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 75.2 111.019 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.535 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 173.99 158.77 0.32 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 72.25 109.264 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 71.15 111.002 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 74.31 109.271 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.4 tpt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.491 0.186 . . . . 73.41 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.73 130.25 35.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 74.13 109.3 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -107.01 104.16 13.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 72.4 110.297 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.3 114.32 26.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 70.13 110.275 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 m -101.7 151.79 21.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 74.45 109.969 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 23' ' ' THR . 93.5 t -59.87 143.23 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 73.42 109.304 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.7 t -139.13 124.89 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 73.24 109.315 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 102.89 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 64.13 109.293 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.06 -29.97 71.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 74.33 109.333 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -143.53 179.08 7.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 72.42 110.316 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.8 tp -62.56 121.05 12.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 73.44 109.292 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.464 ' CG2' HD21 ' A' ' 17' ' ' LEU . 1.5 mt -115.82 102.92 54.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 65.12 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.496 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.02 161.22 39.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 70.44 110.991 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 47' ' ' GLN . 5.6 tt -63.54 136.37 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 73.32 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 67.2 43.19 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 75.34 109.31 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.496 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 55.2 m -117.4 115.98 26.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 64.22 110.419 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.87 110.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 74.01 109.29 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.464 HD21 ' CG2' ' A' ' 11' ' ' ILE . 87.8 mt -59.04 149.16 28.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 74.24 109.3 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.4 p -142.94 161.12 38.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 74.4 110.412 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 7.7 tp -65.38 -17.43 64.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 74.41 109.262 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.9 m -92.23 -0.6 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 75.41 109.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.9 mtm -125.75 10.32 7.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 75.4 110.943 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.7 mtm -138.57 152.94 48.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 73.15 111.058 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 9.0 t -160.46 -174.26 4.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 74.22 110.396 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.1 p -121.15 146.77 46.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 61.22 110.414 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -175.54 131.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 75.45 110.262 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -66.37 97.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 75.53 109.306 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.493 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 12.0 m -117.17 165.7 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 73.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.446 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.81 130.73 15.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 74.42 110.011 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -75.0 162.81 92.12 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.035 -2.485 . . . . 75.24 111.009 0.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 p -76.26 149.94 37.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 53.34 110.379 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.452 ' CA ' ' HE3' ' A' ' 56' ' ' MET . . . -126.71 -145.45 6.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.429 1.081 . . . . 64.22 111.03 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 56' ' ' MET . 52.8 mt -44.01 139.69 2.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 65.13 109.312 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 145.77 31.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 71.25 111.009 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.67 60.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 71.44 109.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.43 -4.74 28.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 70.45 110.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.482 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 12.4 m-20 -107.29 5.27 27.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.168 . . . . 74.3 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.39 -49.65 84.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 71.13 109.278 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -1.75 11.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.53 1.805 . . . . 72.43 111.014 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.461 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 18.3 mtm180 -97.38 -40.36 8.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 72.52 110.331 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.482 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 4.0 mm? -69.13 -27.05 65.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 73.44 109.291 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -55.71 131.73 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 75.11 109.309 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 86.35 -14.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.32 109.999 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.463 ' CE ' HG11 ' A' ' 60' ' ' VAL . 1.7 mtm -98.48 130.35 45.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 64.22 110.944 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.2 mt-30 -82.74 170.9 14.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 65.41 110.278 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 29.1 m -100.23 154.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 63.53 109.285 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.498 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 20.6 p30 -106.04 30.52 5.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 73.1 109.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.457 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 8.5 tt0 178.71 148.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 74.33 110.294 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.414 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -63.12 103.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 74.14 109.309 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.3 t -109.95 99.73 40.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 73.34 109.279 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 160.77 39.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 73.42 110.975 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 36.0 ttp -52.57 148.23 7.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 74.21 111.015 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.99 -4.7 69.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 74.52 111.005 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.8 m -88.79 114.32 25.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 75.24 110.42 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.493 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 51.8 m -49.71 144.3 6.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.33 110.387 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.37 132.57 34.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 72.33 109.337 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.488 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.6 mmt -121.16 152.3 56.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 73.21 110.987 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.599 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.0 Cg_endo -75.03 -9.74 20.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.558 1.82 . . . . 64.15 110.963 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.58 8.11 37.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 74.24 109.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.455 ' HE3' ' CG ' ' A' ' 56' ' ' MET . 20.0 mtm -120.96 11.85 11.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 73.1 111.018 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 92.3 t -122.5 138.63 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 74.01 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.498 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -90.27 149.26 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 75.22 109.294 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.94 18.07 24.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 73.51 111.015 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.599 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 72.9 t80 -81.6 174.6 11.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 62.04 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.545 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 174.13 158.22 0.32 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 71.25 109.338 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.554 1.818 . . . . 73.5 110.979 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 74.41 109.303 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 15.2 tpp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.457 0.17 . . . . 74.22 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -109.21 133.86 52.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 74.34 109.339 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -68.41 111.98 4.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 64.1 110.33 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -89.35 113.74 25.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 75.12 110.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 m -102.92 152.13 21.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 74.3 109.98 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.8 t -59.96 139.78 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 75.11 109.324 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.1 t -137.8 130.04 40.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 64.21 109.34 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.98 106.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 71.14 109.275 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.36 -26.62 68.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 74.23 109.315 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.464 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 5.7 pt20 -156.56 -178.9 7.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 62.42 110.337 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.3 tp -57.88 119.61 7.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 65.11 109.272 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -118.89 105.18 45.68 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 72.44 109.263 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.06 165.23 31.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 71.21 111.005 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.5 tt -68.72 138.38 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 75.14 109.265 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 70.84 32.31 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 72.44 109.296 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.486 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 29.4 m -107.79 112.3 24.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 74.14 110.384 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.31 110.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 72.23 109.303 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.447 HD22 ' CG1' ' A' ' 45' ' ' VAL . 77.2 mt -56.24 147.23 21.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 64.33 109.316 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 p -141.98 164.29 30.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 74.44 110.406 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.529 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.5 tp -67.46 -15.36 63.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 73.23 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -96.63 0.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 72.44 109.291 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 13.5 mtm -125.56 8.63 7.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 63.32 110.991 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 75.6 mtm -139.55 156.11 47.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 75.53 111.032 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 24' ' ' THR . 10.2 t -161.95 -165.31 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 72.33 110.369 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.426 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.5 p -128.12 151.57 49.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 64.55 110.422 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -179.5 135.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 73.11 110.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 t -70.66 93.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 73.45 109.327 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.49 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 11.4 m -114.14 164.56 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 74.33 109.29 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.447 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 4.1 t -138.65 130.95 15.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 74.04 109.994 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.03 162.81 92.09 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.006 -2.497 . . . . 70.1 111.006 0.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -74.92 152.51 38.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 65.33 110.4 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.38 -142.64 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 63.24 111.007 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' A' ' 56' ' ' MET . 35.9 mt -46.36 141.39 4.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 71.34 109.284 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 144.8 30.78 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 74.43 111.006 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.83 -18.47 55.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 73.31 109.334 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.11 -2.63 28.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 73.22 110.323 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.475 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 18.4 m-20 -108.53 4.79 24.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 73.33 109.334 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.551 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -50.0 -49.07 76.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 73.21 109.303 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.01 -9.8 20.92 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 71.21 111.04 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.451 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 14.7 mtm180 -88.27 -37.83 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 74.13 110.299 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 40' ' ' LEU . 3.9 mm? -73.3 -25.83 60.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 73.24 109.261 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.529 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.2 mm -56.71 130.77 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 72.31 109.276 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.2 m 86.78 -14.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 74.3 109.966 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.431 ' CE ' HG13 ' A' ' 60' ' ' VAL . 1.6 mtm -98.57 126.49 44.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 71.31 110.972 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -77.46 -179.88 6.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 74.22 110.252 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.447 ' CG1' HD22 ' A' ' 17' ' ' LEU . 13.6 m -111.12 153.53 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.43 109.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.49 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 19.9 p30 -103.04 31.23 4.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 75.22 109.264 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.451 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 8.8 tt0 177.17 148.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 75.2 110.332 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.406 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -63.19 104.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 75.12 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 11' ' ' ILE . 22.0 t -107.4 102.77 45.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 75.52 109.359 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.74 14.0 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 64.13 110.982 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.464 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 35.0 ttm -68.67 146.18 53.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 74.33 111.03 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 83.39 -10.31 59.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.488 1.117 . . . . 73.31 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -84.74 116.98 23.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 0.744 . . . . 75.1 110.411 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.49 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 98.2 m -49.5 144.37 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 74.42 110.407 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.27 125.68 35.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 74.23 109.299 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.48 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 6.4 mmt -110.71 153.6 43.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 75.31 110.974 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.607 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.99 -8.36 20.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 74.3 110.999 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.44 0.29 33.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 74.5 109.276 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.458 ' HE1' ' CG ' ' A' ' 56' ' ' MET . 38.3 mtm -112.04 16.52 20.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 72.54 111.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 97.2 t -126.47 131.45 71.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 74.41 109.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.49 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.2 mtpp -86.26 140.71 29.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 74.45 109.282 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.27 17.26 70.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 74.41 111.014 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 70.7 t80 -84.74 174.81 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 74.12 111.012 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.559 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 169.62 159.29 0.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 54.43 109.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.78 . . . . 75.13 111.012 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 62.45 109.288 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.2 ttt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.497 0.189 . . . . 71.1 111.03 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -149.16 124.7 10.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 73.21 109.28 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -75.83 111.62 11.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 74.32 110.303 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -89.86 120.26 30.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.4 110.293 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.9 m -103.82 149.81 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 75.21 109.944 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.57 137.36 22.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 73.23 109.312 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.6 t -134.59 126.6 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 73.03 109.313 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.76 107.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 71.21 109.303 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.51 -25.28 68.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 72.44 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.411 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 4.1 pt20 -156.04 175.92 13.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 75.55 110.27 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 tp -57.55 113.16 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 72.52 109.26 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.8 mt -113.03 107.92 53.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 74.3 109.291 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.489 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.01 170.91 19.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 74.44 110.957 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.454 ' CD1' ' HA ' ' A' ' 47' ' ' GLN . 8.2 tt -72.36 138.12 22.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 74.55 109.294 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 70.0 35.13 2.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 75.24 109.291 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.489 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 41.5 m -108.8 114.16 27.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 74.22 110.423 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -54.8 109.35 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 73.02 109.269 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.409 HD21 ' CG1' ' A' ' 45' ' ' VAL . 78.5 mt -57.01 149.1 19.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 75.03 109.288 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 p -143.59 162.15 36.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 75.22 110.369 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.6 tp -66.51 -11.16 51.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 75.43 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 m -101.33 0.87 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 74.02 109.334 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.404 ' HG2' ' NE2' ' A' ' 9' ' ' GLN . 37.2 mtm -125.52 10.58 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 71.35 110.974 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.5 mtm -139.16 157.79 45.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 75.35 110.993 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 24' ' ' THR . 9.1 t -161.82 -169.28 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 73.41 110.396 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.42 ' N ' ' OG1' ' A' ' 23' ' ' THR . 23.8 p -125.76 152.41 45.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 74.31 110.404 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 174.98 108.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 74.31 110.319 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.5 p -54.3 103.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 75.33 109.298 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.439 ' CG2' ' CG2' ' A' ' 54' ' ' THR . 25.2 m -119.76 169.58 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 73.42 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.454 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.3 t -133.6 128.31 19.97 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.145 . . . . 73.11 110.043 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -75.0 162.27 93.18 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.063 -2.474 . . . . 74.24 111.027 0.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p -80.18 148.2 30.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 74.21 110.405 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.457 ' CA ' ' HE3' ' A' ' 56' ' ' MET . . . -124.83 -145.85 6.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 74.31 110.991 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.503 ' CD1' ' O ' ' A' ' 56' ' ' MET . 69.2 mt -43.22 138.78 2.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 75.14 109.302 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 145.41 31.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 74.02 110.965 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.53 -16.4 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 74.3 109.333 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 -0.52 22.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 74.41 110.291 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.48 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 14.6 m-20 -109.57 4.39 22.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 72.4 109.29 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.94 -50.05 80.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 71.22 109.294 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.98 -1.62 11.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.509 1.794 . . . . 73.05 111.008 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 69.0 mtp180 -97.45 -41.4 8.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 73.34 110.283 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 3.9 mm? -68.25 -27.88 66.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 72.54 109.315 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' A' ' 42' ' ' SER . 1.4 mm -53.99 130.33 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 74.43 109.344 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.4 t 88.76 -22.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 72.44 109.974 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.469 ' CE ' HG11 ' A' ' 60' ' ' VAL . 1.6 mtm -92.98 133.02 36.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 72.54 110.975 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 4.1 mt-30 -85.1 178.78 7.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 75.01 110.301 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.409 ' CG1' HD21 ' A' ' 17' ' ' LEU . 3.5 m -107.34 152.33 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 74.03 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.505 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 16.3 p30 -101.98 26.02 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 71.35 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.454 ' HA ' ' CD1' ' A' ' 13' ' ' ILE . 8.5 tt0 -176.68 148.68 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 74.52 110.292 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.409 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.9 t -65.09 103.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 64.1 109.329 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.2 t -106.95 103.5 47.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 73.14 109.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 161.86 38.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 74.42 111.016 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.411 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 8.5 ttp -58.76 144.61 43.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 75.23 110.98 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.82 -10.56 62.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 74.41 110.976 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.3 m -85.56 116.87 24.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 74.33 110.357 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.439 ' CG2' ' CG2' ' A' ' 27' ' ' VAL . 46.3 m -49.78 143.15 7.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 64.04 110.411 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.0 tp -91.81 132.83 36.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 72.31 109.339 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.503 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 7.6 mmt -116.41 158.43 43.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 73.45 110.996 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.97 -9.64 20.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.809 . . . . 74.41 110.982 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -104.09 10.91 35.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 63.24 109.305 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.444 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 35.5 mtm -121.12 13.16 11.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 71.24 111.001 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.469 HG11 ' CE ' ' A' ' 43' ' ' MET . 99.4 t -126.3 134.16 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 71.4 109.293 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.505 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -87.91 140.44 29.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 72.52 109.323 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.22 18.56 71.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 51.34 110.984 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.593 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 59.0 t80 -87.34 174.07 8.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 73.52 111.002 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.583 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 162.31 157.51 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 70.41 109.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.519 1.8 . . . . 73.41 111.006 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 62.15 109.288 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.7 ptp . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.479 0.18 . . . . 73.25 111.019 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -135.66 138.05 42.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 72.42 109.309 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -41.93 110.53 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 74.45 110.286 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -82.43 123.16 28.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 71.1 110.302 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.05 149.71 29.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 74.33 110.012 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.467 HG11 ' CD1' ' A' ' 55' ' ' LEU . 95.3 t -61.51 137.6 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 73.31 109.282 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.8 t -135.1 122.2 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 63.53 109.26 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.48 106.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 63.33 109.301 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.69 68.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 62.22 109.298 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.457 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 3.1 pt20 -153.79 175.8 12.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 73.3 110.35 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.18 105.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 74.03 109.324 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.404 ' CD1' ' O ' ' A' ' 21' ' ' MET . 12.9 mt -103.14 107.97 57.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 72.42 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.04 167.96 25.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.799 . . . . 73.24 111.04 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.9 tt -70.84 141.2 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 72.41 109.304 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 69.55 27.68 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 73.41 109.296 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.499 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 27.2 m -103.89 111.85 24.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 63.41 110.386 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.75 109.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 72.33 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.447 HD21 ' CG1' ' A' ' 45' ' ' VAL . 70.1 mt -54.48 149.56 10.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 63.51 109.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.2 p -143.4 161.89 37.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 74.24 110.398 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.4 tp -66.44 -11.43 51.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 74.03 109.255 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 m -100.94 1.02 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 74.52 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.404 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 32.0 mtm -125.6 9.9 7.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 74.34 111.023 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -141.38 156.92 45.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 75.3 110.999 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.6 t -161.71 -158.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 63.22 110.392 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.6 p -138.24 150.05 46.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 74.11 110.36 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -179.78 136.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 75.01 110.337 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -67.32 97.66 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 65.15 109.323 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.479 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 10.0 m -119.59 163.86 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 70.55 109.245 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.443 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.27 130.86 16.21 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 71.54 109.99 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.443 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.6 Cg_endo -74.92 163.04 91.59 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.025 -2.489 . . . . 74.02 111.026 -0.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 p -82.09 145.9 29.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 71.23 110.397 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.462 ' CA ' ' HE1' ' A' ' 56' ' ' MET . . . -122.77 -142.83 6.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.143 . . . . 72.34 111.006 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 56' ' ' MET . 65.0 mt -43.98 139.22 3.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 75.4 109.294 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 145.88 31.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 64.44 110.959 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.1 -20.48 58.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 63.11 109.285 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.49 -5.59 29.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 55.45 110.32 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.477 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 15.9 m-20 -105.57 6.39 32.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 62.14 109.265 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.53 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -51.9 -50.75 76.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 70.44 109.326 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.05 -1.78 11.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 74.53 110.927 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 16.2 mtm180 -97.38 -37.66 9.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 73.43 110.276 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 4.0 mm? -72.11 -26.14 62.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 72.2 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.559 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.02 130.98 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 74.42 109.249 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.4 t 86.2 -13.99 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 74.24 109.999 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.462 ' CE ' HG13 ' A' ' 60' ' ' VAL . 1.8 mtm -100.22 128.4 46.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 75.13 110.999 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.5 mt-30 -80.62 179.55 7.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 72.2 110.296 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.447 ' CG1' HD21 ' A' ' 17' ' ' LEU . 3.6 m -111.6 144.75 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 75.42 109.33 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -93.22 33.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 74.45 109.318 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.444 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 8.8 tt0 175.93 149.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.52 110.294 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.412 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -67.7 105.88 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 73.51 109.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.1 t -105.15 105.37 51.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 73.45 109.279 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 156.79 43.0 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.8 . . . . 74.12 111.007 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 30.0 ttm -56.15 143.72 32.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 73.21 110.985 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 86.52 -12.55 60.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.092 . . . . 54.53 110.973 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.7 m -85.81 115.57 23.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 74.41 110.408 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.479 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 32.7 m -49.64 143.54 7.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 75.2 110.434 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD1' HG11 ' A' ' 5' ' ' VAL . 4.8 mt -90.55 132.86 35.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 73.02 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.501 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.2 mmt -115.31 158.19 41.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 75.13 111.05 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.598 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.01 -9.16 20.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 74.23 110.991 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -102.46 8.7 39.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 73.53 109.282 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.444 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 42.4 mtm -120.64 13.37 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 74.54 111.005 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 88.8 t -126.19 133.75 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 75.4 109.288 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.22 150.52 24.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 75.04 109.307 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.74 15.64 20.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 75.14 111.014 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 67.9 t80 -80.98 174.95 11.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 71.24 110.947 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.579 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 173.65 159.19 0.3 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 64.13 109.303 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.549 1.815 . . . . 74.12 111.019 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 64.04 109.297 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.8 ptm . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.527 0.204 . . . . 73.21 111.031 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.22 136.08 46.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 71.55 109.31 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -38.75 110.56 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 74.44 110.257 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.37 114.9 25.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.33 110.316 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 m -102.01 151.13 22.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 74.33 109.991 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 23' ' ' THR . 85.1 t -59.27 142.19 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 72.25 109.269 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.8 t -138.39 125.41 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 70.31 109.292 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.24 105.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 60.23 109.34 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.412 ' HB3' ' N ' ' A' ' 22' ' ' MET . . . -63.13 -25.7 68.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 71.24 109.29 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 2.9 pt20 -156.45 178.36 10.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 72.25 110.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.53 113.45 2.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 73.4 109.304 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.44 ' CD1' ' O ' ' A' ' 21' ' ' MET . 17.3 mt -113.9 108.55 50.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.163 . . . . 75.53 109.342 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.493 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.97 171.06 19.06 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.45 1.763 . . . . 73.24 111.004 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.439 ' CD1' ' HA ' ' A' ' 47' ' ' GLN . 5.5 tt -72.25 146.12 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 75.11 109.349 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.431 ' OD1' ' NZ ' ' A' ' 61' ' ' LYS . 8.9 m-80 62.94 29.19 16.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 73.31 109.276 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.493 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 32.1 m -104.5 112.66 25.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 73.24 110.404 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.411 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.7 110.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 73.12 109.33 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD22 ' CG1' ' A' ' 45' ' ' VAL . 74.1 mt -57.0 148.67 20.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 75.25 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.4 p -142.67 161.2 38.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 72.11 110.391 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.9 tp -65.09 -18.45 65.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 71.34 109.307 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.9 m -93.1 1.15 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 75.21 109.292 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.44 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 14.2 mtm -125.52 6.6 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.3 111.043 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.412 ' N ' ' HB3' ' A' ' 8' ' ' ALA . 74.8 mtm -136.38 154.12 50.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 73.02 111.019 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 8.8 t -159.59 -174.03 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 71.04 110.358 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -121.06 150.13 41.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 75.31 110.395 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.32 133.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 73.13 110.312 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.22 87.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 74.24 109.241 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.49 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 11.6 m -106.67 164.99 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 73.33 109.279 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.449 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.8 t -137.82 130.54 16.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 73.03 109.966 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.449 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.02 163.1 91.5 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.992 -2.503 . . . . 75.33 111.001 0.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 p -77.02 148.37 36.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 71.42 110.365 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.5 -145.24 6.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 53.43 111.015 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 56' ' ' MET . 59.9 mt -42.86 139.14 2.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 75.21 109.316 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 146.38 32.69 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 73.31 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.29 -20.15 57.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 64.21 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -4.17 27.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 74.23 110.284 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.485 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 11.3 m-20 -107.7 4.39 25.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 71.31 109.279 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.552 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.28 -49.53 84.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 73.42 109.326 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.0 -2.07 12.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 74.41 110.975 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 18.0 mtm180 -97.22 -40.55 8.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 72.14 110.293 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 3.9 mm? -69.39 -26.26 64.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 73.11 109.313 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.553 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.17 131.45 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 73.45 109.319 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER 86.8 -14.31 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 73.53 110.043 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.468 ' CE ' HG12 ' A' ' 60' ' ' VAL . 1.6 mtm -100.3 128.59 46.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 71.11 111.03 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.3 mt-30 -79.28 179.04 7.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 75.32 110.248 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.402 ' CG1' HD22 ' A' ' 17' ' ' LEU . 6.7 m -111.7 144.74 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 73.25 109.369 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' CB ' ' HD3' ' A' ' 61' ' ' LYS . 18.8 p30 -92.69 28.69 1.96 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 74.21 109.275 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.447 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 8.6 tt0 -178.98 148.68 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 73.53 110.273 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.408 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -67.31 106.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.54 109.259 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.44 HG13 ' CG2' ' A' ' 53' ' ' THR . 12.6 t -108.56 101.76 44.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 70.53 109.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 53' ' ' THR . 18.2 Cg_endo -75.01 158.8 41.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 74.41 110.985 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.459 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 15.6 ttp -50.1 145.33 5.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 73.23 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.85 -8.73 61.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 74.05 110.991 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.44 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 38.8 m -83.65 112.13 19.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 73.41 110.347 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.49 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 99.3 m -49.76 144.52 6.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 74.24 110.364 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.7 132.38 34.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 71.54 109.329 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.495 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.3 mmt -120.58 153.23 56.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 72.53 111.038 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.601 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.98 -8.03 19.72 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.767 . . . . 75.01 111.023 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.66 9.12 35.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 73.24 109.3 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.447 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 30.6 mtm -120.92 11.91 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 74.31 111.0 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 99.3 t -124.96 134.23 67.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 74.13 109.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' NZ ' ' OD1' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -86.61 149.46 24.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 73.53 109.278 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.83 16.15 22.93 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.521 1.138 . . . . 53.25 110.994 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.601 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 71.0 t80 -78.79 174.58 11.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 74.12 110.975 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.547 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 176.03 158.34 0.42 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 75.51 109.335 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.538 1.809 . . . . 73.2 110.987 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 74.34 109.288 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.56 0.219 . . . . 71.0 110.936 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -118.12 107.8 14.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 65.12 109.29 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.51 112.9 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 73.53 110.298 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -101.67 112.52 25.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 74.0 110.269 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -101.26 152.37 20.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 72.04 109.998 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.443 HG12 ' CD2' ' A' ' 55' ' ' LEU . 79.1 t -61.89 135.51 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 74.32 109.333 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.6 t -131.76 126.03 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 71.31 109.309 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.07 105.4 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 64.21 109.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.25 -26.7 68.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 71.15 109.329 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.466 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 4.3 pt20 -156.5 172.44 18.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 72.14 110.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.0 tp -50.61 131.58 25.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 72.33 109.243 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' VAL . 19.7 mt -135.82 103.57 10.0 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 70.15 109.256 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.6 Cg_endo -74.93 173.3 14.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 74.3 111.016 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.407 ' CD1' ' HA ' ' A' ' 47' ' ' GLN . 3.7 tt -69.22 134.92 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 74.41 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 2.2 m120 74.75 31.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 74.44 109.337 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.499 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 19.1 m -102.33 109.58 21.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 74.22 110.452 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -54.36 108.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 51.32 109.265 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.406 HD23 ' CG1' ' A' ' 45' ' ' VAL . 62.8 mt -56.2 147.34 20.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 72.23 109.312 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.7 p -143.47 162.12 36.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 72.13 110.401 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.543 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.8 tp -66.31 -11.11 48.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 71.43 109.275 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -100.72 -0.55 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 75.31 109.297 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 28.0 mtm -124.8 9.15 8.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 72.15 111.003 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.41 ' CE ' HG12 ' A' ' 41' ' ' ILE . 77.1 mtm -137.71 155.49 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 74.45 111.004 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 24' ' ' THR . 9.8 t -161.24 -170.84 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 71.33 110.426 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.437 ' N ' ' OG1' ' A' ' 23' ' ' THR . 18.7 p -125.92 148.44 49.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 74.13 110.382 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -177.32 135.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 75.24 110.275 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.03 93.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 74.22 109.272 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.498 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 12.4 m -113.73 164.79 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 71.22 109.343 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.448 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.2 t -138.03 130.77 16.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 74.22 110.018 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.448 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -75.0 162.89 91.96 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.969 -2.513 . . . . 75.51 111.069 -0.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -79.01 150.4 31.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 73.11 110.416 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.466 ' CA ' ' HE3' ' A' ' 56' ' ' MET . . . -127.56 -144.54 5.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 73.23 111.03 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.503 ' CD1' ' O ' ' A' ' 56' ' ' MET . 68.4 mt -43.06 139.74 2.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 75.54 109.258 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.69 31.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 71.45 111.056 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.38 -20.62 60.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 73.24 109.299 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.03 -5.22 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 74.32 110.309 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.479 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 12.6 m-20 -105.91 5.77 30.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 75.22 109.272 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.552 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.3 -49.68 83.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 75.23 109.276 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.94 -2.23 12.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 75.14 111.011 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.454 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 17.8 mtm180 -97.22 -39.15 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 73.12 110.317 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 4.0 mm? -70.79 -26.02 63.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 73.02 109.285 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.22 130.96 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 64.33 109.319 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER 86.68 -14.26 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 64.01 110.004 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.466 ' CE ' HG11 ' A' ' 60' ' ' VAL . 1.6 mtm -100.04 130.73 46.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 73.21 111.01 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.7 mt-30 -83.82 178.17 8.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.23 110.256 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.406 ' CG1' HD23 ' A' ' 17' ' ' LEU . 8.1 m -108.78 146.39 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 72.34 109.322 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.438 ' CB ' ' HD3' ' A' ' 61' ' ' LYS . 17.1 p30 -94.06 27.1 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 75.12 109.309 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.437 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 8.9 tt0 -176.58 149.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 74.21 110.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.413 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 3.1 t -67.13 102.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 71.54 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 11' ' ' ILE . 3.0 t -104.0 106.15 51.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 73.11 109.287 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 162.27 37.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 72.12 111.007 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 30.5 ttm -61.19 143.1 56.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 71.11 111.044 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.403 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 86.17 -10.4 66.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 71.21 111.016 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.7 m -85.89 116.77 24.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 74.1 110.413 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.498 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 62.0 m -49.52 143.12 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 74.35 110.387 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.443 ' CD2' HG12 ' A' ' 5' ' ' VAL . 9.9 tp -90.9 133.05 35.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 72.43 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.503 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.8 mmt -116.46 158.11 44.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.22 110.974 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.607 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.04 -8.37 19.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.494 1.786 . . . . 73.02 111.012 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -102.9 8.24 39.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 74.22 109.328 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.46 ' HE1' ' CG ' ' A' ' 56' ' ' MET . 43.9 mtm -120.61 15.48 11.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 71.11 110.97 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 88.9 t -128.14 133.16 67.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 72.33 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' HD3' ' CB ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -85.98 149.29 25.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 73.2 109.275 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.83 16.04 29.77 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.472 1.108 . . . . 73.12 110.997 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 68.6 t80 -81.05 174.95 11.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 74.34 110.967 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.572 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 173.79 159.06 0.31 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 75.14 109.305 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 64.14 110.985 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 75.21 109.268 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.4 ' C ' ' CG ' ' A' ' 1' ' ' ASN . 7.1 mtm . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.53 0.205 . . . . 75.43 110.957 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.4 ' CG ' ' C ' ' A' ' 0' ' ' MET . 1.0 OUTLIER -162.67 106.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 74.42 109.289 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 -48.21 109.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 72.32 110.304 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -90.64 118.15 29.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 71.13 110.317 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.8 m -102.98 154.04 19.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 72.23 109.984 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 81.7 t -63.14 135.42 27.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 70.03 109.316 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.5 t -130.43 125.85 60.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 64.41 109.292 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.84 106.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 73.44 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.98 -25.11 67.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 73.21 109.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.416 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 4.6 pt20 -156.92 178.1 10.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 75.25 110.299 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 tp -58.37 122.87 14.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 74.35 109.29 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' VAL . 0.9 OUTLIER -122.17 105.24 37.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 75.4 109.305 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.01 169.12 23.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.783 . . . . 65.3 110.996 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.2 tt -66.6 138.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 74.2 109.264 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 67.03 40.26 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 63.2 109.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.486 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 20.0 m -109.69 113.62 26.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 64.2 110.37 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.423 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -55.68 111.35 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 75.02 109.292 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 40' ' ' LEU . 82.2 mt -57.54 147.02 28.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 74.4 109.346 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -142.6 160.68 39.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 73.15 110.404 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.538 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.3 tp -66.54 -11.91 55.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 75.03 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.06 1.8 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 73.31 109.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.462 ' HE1' ' CG2' ' A' ' 15' ' ' THR . 17.0 mtm -125.32 9.24 7.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 71.34 110.976 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.5 mtm -139.94 154.87 47.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 61.1 110.983 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 24' ' ' THR . 10.1 t -160.72 -172.13 3.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 74.52 110.393 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.418 ' N ' ' OG1' ' A' ' 23' ' ' THR . 19.7 p -123.65 149.44 45.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 71.32 110.371 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 179.67 135.5 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 75.24 110.287 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 t -67.83 106.35 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 75.11 109.271 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.496 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 12.1 m -128.01 165.26 27.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 74.03 109.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.477 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.9 t -139.06 130.82 15.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 54.44 109.989 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 162.77 92.18 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.013 -2.495 . . . . 75.43 110.989 -0.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p -79.67 150.29 30.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 75.1 110.456 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.441 ' CA ' ' HE2' ' A' ' 56' ' ' MET . . . -126.27 -145.9 6.47 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 73.12 110.978 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' C ' ' A' ' 56' ' ' MET . 26.4 mt -44.6 140.11 3.31 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.557 0.798 . . . . 75.44 109.279 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.4 33.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.45 1.763 . . . . 74.11 111.044 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.15 -19.66 54.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 74.23 109.297 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.41 -4.61 27.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 74.34 110.275 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.475 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 11.2 m-20 -107.5 5.52 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 70.24 109.335 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.96 -49.28 88.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 74.44 109.31 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -1.56 11.38 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 75.13 111.012 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 18.1 mtm180 -97.53 -43.41 7.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 74.42 110.281 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.476 HD23 ' N ' ' A' ' 40' ' ' LEU . 3.9 mm? -65.37 -32.14 73.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 73.43 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 42' ' ' SER . 1.5 mm -46.63 128.99 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 74.24 109.323 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.8 m 90.11 -35.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 73.51 109.943 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 3.5 mmm -74.72 132.4 41.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 61.5 110.997 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 8.5 mt-30 -87.86 164.31 15.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 64.31 110.31 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.4 ' O ' ' CE ' ' A' ' 61' ' ' LYS . 17.0 m -94.58 141.38 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 74.3 109.332 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 21.6 p30 -92.42 32.03 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 71.33 109.289 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 9.1 tt0 178.29 149.21 0.2 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 74.32 110.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.416 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -64.52 102.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 75.51 109.328 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' ILE . 53.6 t -106.9 103.45 47.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 73.1 109.305 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 169.82 21.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 74.33 111.036 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.401 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 22.9 ttp -65.77 149.94 49.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 71.54 111.013 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.21 -4.55 62.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 72.24 111.027 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.8 m -93.09 115.59 28.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 74.42 110.399 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.496 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 61.6 m -49.58 144.18 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 60.35 110.359 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mt -91.08 135.58 33.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 73.53 109.275 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.472 ' C ' ' CD1' ' A' ' 32' ' ' ILE . 5.9 mmt -119.58 157.39 51.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 73.52 110.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.57 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -9.4 20.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 73.41 111.048 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.15 12.94 35.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 72.34 109.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.9 mtm -120.88 4.51 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 75.44 110.977 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 42.5 t -114.66 143.24 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 53.33 109.25 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -88.94 146.25 25.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 65.12 109.289 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.0 28.44 17.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 72.22 111.013 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 50.6 t80 -88.34 174.31 8.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 73.22 110.992 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.65 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.48 161.87 0.35 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 71.41 109.263 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 73.33 110.966 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 70.33 109.286 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 1' ' ' ASN . 11.0 ttm . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.491 0.186 . . . . 71.25 111.018 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 0' ' ' MET . 0.4 OUTLIER -39.64 109.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.153 . . . . 73.5 109.314 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 3' ' ' GLU . 11.8 tp60 -91.99 101.8 14.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 75.32 110.269 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.438 ' O ' ' NE2' ' A' ' 2' ' ' GLN . 5.0 mt-10 -72.54 112.37 8.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 73.02 110.29 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.11 147.11 26.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 74.22 109.997 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 23' ' ' THR . 77.1 t -59.22 139.46 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 75.41 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.4 t -138.81 124.35 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 75.31 109.32 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -44.1 106.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 71.3 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.11 -26.37 68.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 71.23 109.307 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.465 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 2.8 pt20 -157.17 174.68 15.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 71.35 110.335 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 tp -55.12 119.61 5.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 75.34 109.314 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 49' ' ' VAL . 16.2 mt -121.57 109.57 34.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 74.35 109.251 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.03 172.19 16.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 63.14 111.009 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.9 tt -73.63 139.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 72.12 109.312 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 70.01 32.68 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 72.44 109.308 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.488 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 31.4 m -107.23 111.92 24.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 74.34 110.393 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.71 108.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 70.4 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.419 HD22 ' CG1' ' A' ' 45' ' ' VAL . 60.5 mt -54.0 149.61 8.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 73.53 109.315 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 p -143.55 161.44 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 73.01 110.427 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 13.0 tp -66.08 -14.47 61.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 74.22 109.325 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -97.91 2.28 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 64.23 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.426 ' HA ' ' CG ' ' A' ' 9' ' ' GLN . 13.8 mtm -125.64 4.01 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 72.1 110.976 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -136.42 157.51 46.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 71.32 110.989 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 14.3 t -162.03 -159.65 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 73.32 110.392 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.0 p -133.41 153.81 51.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 75.43 110.397 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? 177.33 129.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 75.31 110.304 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.98 100.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 64.31 109.294 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.42 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 11.9 m -120.43 165.71 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 71.53 109.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.445 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.26 130.18 15.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 75.41 110.015 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.95 164.31 88.66 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.02 -2.492 . . . . 74.43 110.965 -0.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 p -80.39 147.27 31.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 73.43 110.378 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -122.94 -140.49 5.71 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.455 1.097 . . . . 73.44 110.974 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 56' ' ' MET . 65.9 mt -47.43 139.54 7.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.583 0.814 . . . . 73.45 109.31 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 144.65 30.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.456 1.767 . . . . 75.41 110.984 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.91 -20.55 57.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 42.51 109.257 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.26 -4.78 27.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 71.42 110.304 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.479 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 13.8 m-20 -106.1 5.8 30.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 65.12 109.334 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.538 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.99 -50.3 79.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 71.42 109.338 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.02 -1.95 11.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.548 1.815 . . . . 74.34 110.982 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 16.4 mtm180 -97.24 -39.02 9.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 72.23 110.313 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 4.0 mm? -70.32 -26.56 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 71.21 109.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -55.96 131.63 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 75.3 109.293 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.6 m 85.9 -14.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 74.52 110.003 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.476 ' CE ' HG12 ' A' ' 60' ' ' VAL . 1.8 mtm -99.03 127.24 44.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 74.33 111.0 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.5 mt-30 -79.7 -179.27 6.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 74.44 110.324 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.419 ' CG1' HD22 ' A' ' 17' ' ' LEU . 6.2 m -112.15 153.78 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 75.3 109.253 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 15.6 p30 -102.07 25.08 9.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 70.5 109.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.448 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 8.3 tt0 -177.08 146.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 75.34 110.306 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.5 t -61.76 106.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 71.03 109.279 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' ILE . 15.9 t -106.75 103.99 49.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 73.12 109.295 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 165.93 30.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 74.45 111.014 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 34.5 ttm -63.77 145.47 55.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 75.44 110.969 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 83.57 -9.22 62.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 63.51 111.044 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.8 m -85.54 118.33 25.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 73.23 110.39 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.42 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 68.7 m -49.68 144.51 6.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 75.55 110.376 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -88.96 128.19 35.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 74.3 109.291 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.493 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 6.9 mmt -111.9 152.91 44.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 71.53 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.02 -12.37 21.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 72.32 111.004 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.31 11.37 36.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 74.15 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.46 ' HE3' ' CG ' ' A' ' 56' ' ' MET . 23.1 mtm -119.01 8.95 11.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 72.34 111.046 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.476 HG12 ' CE ' ' A' ' 43' ' ' MET . 97.1 t -122.78 135.32 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 74.31 109.303 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.487 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.8 mtpp -89.86 135.29 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 73.31 109.283 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.49 17.61 80.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.436 1.085 . . . . 73.14 110.975 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 65.6 t80 -88.36 174.64 8.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 0.729 . . . . 73.3 110.985 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.556 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 170.62 161.24 0.22 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 70.31 109.279 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 65.44 110.994 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 54.31 109.335 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.2 ptt? . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.501 0.191 . . . . 74.53 110.992 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -133.06 133.47 43.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 74.21 109.293 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -72.55 112.17 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.586 1.179 . . . . 70.44 110.334 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.29 114.99 24.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 73.44 110.296 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 m -102.35 151.9 21.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 72.34 110.02 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.423 ' CG1' ' CD2' ' A' ' 55' ' ' LEU . 71.9 t -61.81 134.28 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 74.23 109.293 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.0 t -131.36 127.16 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 61.25 109.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.19 105.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 64.1 109.281 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.62 -25.62 68.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 72.41 109.312 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.408 ' NE2' ' HG2' ' A' ' 21' ' ' MET . 3.3 pt20 -152.43 172.19 16.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 73.34 110.269 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 tp -53.99 133.56 43.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 60.1 109.317 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' A' ' 49' ' ' VAL . 19.9 mt -135.77 106.66 9.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 72.33 109.273 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.494 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.05 173.01 15.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 64.34 110.978 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.3 tt -69.33 135.93 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 73.32 109.301 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 73.66 31.96 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 72.35 109.289 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.494 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 19.0 m -102.2 109.72 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 75.23 110.406 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -54.82 109.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 72.03 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.432 HD21 ' CG1' ' A' ' 45' ' ' VAL . 52.1 mt -55.6 148.27 16.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 74.11 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 p -143.65 162.15 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 74.1 110.41 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.4 tp -66.4 -11.9 54.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 73.52 109.304 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -100.15 0.63 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 70.22 109.297 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.408 ' HG2' ' NE2' ' A' ' 9' ' ' GLN . 19.9 mtm -125.59 6.32 7.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 73.3 111.022 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.9 mtm -137.92 157.96 45.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 71.52 111.035 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.2 t -161.65 -151.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 75.24 110.382 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.3 p -143.69 149.42 37.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 64.22 110.399 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -178.76 144.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 74.11 110.265 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -75.74 100.43 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 74.45 109.286 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 m -122.18 165.77 17.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 71.25 109.293 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.477 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -139.79 130.83 14.45 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 44.53 109.963 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.01 163.13 91.44 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.017 -2.493 . . . . 74.13 110.949 0.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 p -77.73 149.54 34.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 72.52 110.408 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.465 ' CA ' ' HE2' ' A' ' 56' ' ' MET . . . -127.28 -147.06 6.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 62.41 110.98 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 56' ' ' MET . 30.1 mt -40.24 139.21 1.07 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 72.1 109.285 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.403 ' N ' HG22 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.0 144.98 30.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.764 . . . . 71.33 110.995 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.61 -19.21 57.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 64.14 109.236 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.37 -2.52 25.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 74.42 110.304 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.464 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 21.5 m-20 -109.46 7.75 24.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 55.31 109.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.539 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -49.63 -49.99 69.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 64.31 109.331 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.04 -9.49 20.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 75.01 110.969 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 10.0 mtm180 -88.12 -36.56 16.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 74.55 110.313 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 40' ' ' LEU . 4.0 mm? -73.85 -27.05 60.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 72.32 109.329 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -55.95 131.76 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 64.4 109.27 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.2 m 86.62 -14.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 74.4 110.01 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -99.36 129.86 45.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 74.43 110.981 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.0 mt-30 -83.32 178.48 8.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 71.03 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.432 ' CG1' HD21 ' A' ' 17' ' ' LEU . 13.1 m -109.85 142.44 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 71.1 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.451 ' ND2' ' C ' ' A' ' 59' ' ' MET . 17.9 p30 -92.23 33.88 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 74.21 109.246 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.414 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 9.1 tt0 177.49 149.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 73.31 110.277 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.414 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -66.58 104.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 73.52 109.334 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' ILE . 3.2 t -107.85 102.45 45.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 71.11 109.303 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 162.54 37.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 71.22 111.003 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.412 ' HG2' ' N ' ' A' ' 52' ' ' GLY . 31.3 ttm -57.29 143.6 38.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 72.33 111.017 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.412 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 84.93 -4.63 84.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 70.33 111.037 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.2 m -91.1 116.34 28.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.763 . . . . 73.33 110.426 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 90.6 m -49.98 144.63 6.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 73.04 110.374 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.423 ' CD2' ' CG1' ' A' ' 5' ' ' VAL . 8.2 tp -91.59 133.43 35.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 74.1 109.352 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.491 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 7.3 mmt -119.64 158.08 50.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 72.14 110.96 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.589 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.97 -9.2 20.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.537 1.809 . . . . 74.31 110.97 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -103.66 10.08 36.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 75.51 109.28 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.451 ' C ' ' ND2' ' A' ' 46' ' ' ASN . 35.7 mtm -119.64 8.81 11.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 63.02 111.007 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.467 HG11 ' CD1' ' A' ' 40' ' ' LEU . 52.4 t -124.07 132.07 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 75.03 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.424 ' NZ ' ' HA ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -84.96 149.4 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 74.21 109.315 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.96 12.22 35.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 73.44 110.931 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.608 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 61.8 t80 -79.96 174.61 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 0.735 . . . . 72.43 111.056 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.608 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.58 158.45 0.34 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 74.52 109.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 71.55 111.019 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 63.45 109.267 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.509 0.195 . . . . 74.51 110.988 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -102.37 133.22 47.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 72.35 109.301 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -90.39 111.46 22.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 72.21 110.299 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.53 114.86 23.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 74.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m -101.26 154.43 18.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 74.53 109.958 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.9 135.46 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 74.3 109.267 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.54 125.56 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 72.24 109.261 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.54 105.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 63.54 109.307 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.31 -26.46 68.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 74.42 109.291 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.458 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 4.7 pt20 -154.57 176.17 12.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 65.15 110.328 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.3 tp -58.69 114.27 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 74.13 109.307 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.7 mt -113.81 108.1 51.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 75.34 109.293 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.491 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.1 Cg_endo -75.04 165.25 31.66 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 74.24 111.012 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.3 tt -68.72 139.98 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 73.53 109.354 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 70.5 28.96 3.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 75.22 109.289 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.491 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 28.6 m -105.36 112.39 25.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 75.05 110.357 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.1 109.12 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 73.22 109.263 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.437 HD22 ' CG1' ' A' ' 45' ' ' VAL . 64.3 mt -55.05 149.08 12.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 75.4 109.316 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 p -142.61 161.64 37.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 65.2 110.419 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.8 tp -66.15 -12.78 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 75.43 109.286 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.6 m -99.46 1.12 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 73.14 109.28 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.419 ' HG2' ' NE2' ' A' ' 9' ' ' GLN . 16.9 mtm -125.67 10.83 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 75.44 111.028 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.1 mtm -140.74 157.43 45.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 75.4 110.979 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 24' ' ' THR . 9.2 t -161.97 -167.51 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 70.32 110.427 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.436 ' N ' ' OG1' ' A' ' 23' ' ' THR . 25.8 p -128.62 151.33 49.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 74.42 110.402 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 177.86 136.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 74.23 110.331 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -70.2 105.16 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 71.02 109.302 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.5 m -126.56 166.49 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 74.11 109.274 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.47 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.6 t -139.36 130.64 14.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 74.42 110.01 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.47 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.97 162.71 92.31 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.011 -2.495 . . . . 75.31 110.982 -0.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -80.51 149.76 29.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 74.13 110.419 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.446 ' CA ' ' HE3' ' A' ' 56' ' ' MET . . . -125.63 -145.41 6.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.117 . . . . 71.51 111.017 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 56' ' ' MET . 69.9 mt -44.17 139.86 3.04 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 73.33 109.301 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.404 ' N ' HG23 ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.04 147.36 33.66 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 64.43 111.006 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.02 -19.74 54.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 73.14 109.278 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.7 -4.51 27.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 63.44 110.281 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.48 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 10.0 m-20 -106.19 4.84 29.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 72.12 109.314 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.543 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.95 -49.96 80.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 73.51 109.337 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -1.44 11.23 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 72.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 67.8 mtp180 -97.54 -41.15 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 75.42 110.247 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 3.9 mm? -68.46 -26.44 65.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 74.35 109.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.14 130.4 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 74.51 109.311 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 87.23 -15.69 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 61.23 109.943 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.462 ' CE ' HG13 ' A' ' 60' ' ' VAL . 1.5 mtm -99.13 129.69 45.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 63.34 110.978 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.8 mt-30 -80.89 177.82 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 73.43 110.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.437 ' CG1' HD22 ' A' ' 17' ' ' LEU . 3.0 m -108.34 143.0 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 75.4 109.272 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 59' ' ' MET . 20.3 p30 -92.62 32.79 1.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 74.44 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.442 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 9.6 tt0 175.75 148.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 75.34 110.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.412 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.9 t -64.2 106.95 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 72.23 109.287 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 t -108.83 101.7 45.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 75.01 109.277 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 162.68 36.74 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 72.41 110.957 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.458 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 32.0 ttm -59.82 143.53 50.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 74.01 110.987 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 85.45 -9.97 65.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.566 1.166 . . . . 71.13 110.988 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.9 m -87.56 115.05 24.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 61.23 110.409 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 39.1 m -49.73 144.46 6.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 74.11 110.38 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.0 tp -91.76 135.84 33.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 74.25 109.29 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.505 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 11.2 mmt -117.94 158.69 45.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 72.34 111.004 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.97 -8.6 20.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 74.5 111.007 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.91 1.65 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 75.34 109.336 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.457 ' C ' ' ND2' ' A' ' 46' ' ' ASN . 34.3 mtm -111.26 9.67 21.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 71.22 110.965 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 40' ' ' LEU . 86.6 t -124.29 134.5 66.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 74.23 109.299 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.428 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -88.16 150.03 23.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 73.44 109.284 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.43 14.3 33.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 70.33 111.026 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 53.2 t80 -83.73 173.6 11.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 73.41 111.011 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.6 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 162.25 159.28 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 55.25 109.269 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.03 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.47 1.774 . . . . 74.43 110.965 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 63.43 109.295 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.474 0.178 . . . . 74.15 111.019 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -119.22 135.93 54.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 72.14 109.311 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.33 109.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 74.44 110.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -98.06 112.32 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 74.2 110.305 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.2 m -100.9 149.66 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 65.41 109.974 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 23' ' ' THR . 60.3 t -59.2 140.19 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 74.01 109.274 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.4 t -136.55 128.48 44.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 75.42 109.294 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.3 105.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 73.34 109.288 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.22 -27.4 69.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 70.31 109.287 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.34 -174.59 4.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 73.15 110.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tp -71.58 104.72 3.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 75.22 109.302 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.462 HG23 ' CD2' ' A' ' 17' ' ' LEU . 22.5 mt -101.6 109.98 60.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 63.04 109.253 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.04 170.68 19.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.459 1.768 . . . . 63.43 110.982 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 tt -70.92 144.66 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 71.24 109.324 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.434 ' N ' HD21 ' A' ' 14' ' ' ASN . 1.4 m-80 60.96 36.11 18.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 72.03 109.286 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.492 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 48.2 m -110.89 110.88 21.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 72.51 110.382 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -50.5 111.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 65.03 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.462 ' CD2' HG23 ' A' ' 11' ' ' ILE . 61.4 mt -57.52 150.14 19.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 61.43 109.31 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 p -143.51 161.29 38.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 73.44 110.387 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.534 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 8.0 tp -65.38 -17.79 64.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 75.04 109.349 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.79 1.28 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 72.32 109.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.454 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 43.9 mtm -125.51 5.9 7.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 74.44 111.042 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 67.4 mtm -135.17 157.27 47.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 74.25 110.967 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 24' ' ' THR . 9.8 t -161.72 -170.11 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 64.21 110.415 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.443 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.6 p -125.41 151.26 46.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 72.22 110.392 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? 179.11 129.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 74.04 110.296 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -67.15 90.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 73.42 109.261 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.484 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 13.6 m -108.61 165.44 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 75.24 109.325 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.446 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 6.3 t -137.32 130.49 17.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 73.44 110.006 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.446 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.94 162.8 92.09 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.04 -2.484 . . . . 75.13 110.997 -0.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -77.34 149.29 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 74.41 110.427 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.462 ' CA ' ' HE2' ' A' ' 56' ' ' MET . . . -126.75 -143.6 5.88 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.466 1.104 . . . . 72.35 110.995 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 56' ' ' MET . 67.1 mt -43.82 139.73 2.79 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 70.31 109.346 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 144.06 29.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.791 . . . . 65.11 110.997 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -19.82 55.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 73.14 109.262 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -3.64 25.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 65.33 110.285 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.483 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 18.9 m-20 -108.28 5.56 25.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 71.32 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -50.07 -49.63 74.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 74.11 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.05 -8.64 20.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.511 1.795 . . . . 73.24 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 15.5 mtm180 -89.15 -37.87 14.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 74.02 110.319 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.483 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 3.9 mm? -72.64 -26.28 61.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 73.3 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.27 131.32 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 75.51 109.329 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER 86.05 -13.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 73.41 109.987 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.47 ' CE ' HG11 ' A' ' 60' ' ' VAL . 1.6 mtm -99.82 127.04 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 74.52 110.989 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.1 mt-30 -77.96 179.48 6.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 72.43 110.277 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.459 ' CG1' HD22 ' A' ' 17' ' ' LEU . 2.9 m -112.18 143.8 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.45 109.305 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 46' ' ' ASN . 24.2 p30 -92.65 32.55 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 74.25 109.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.442 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 9.1 tt0 176.04 149.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 74.23 110.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.416 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -66.2 106.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 62.41 109.273 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.9 t -109.23 101.05 43.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 74.11 109.35 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 166.96 28.1 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.486 1.782 . . . . 50.24 110.976 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.7 ttp -61.04 147.43 43.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 75.44 111.015 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.3 -9.86 60.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 74.24 111.012 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.3 m -87.12 115.37 24.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 74.24 110.382 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.484 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 97.0 m -49.55 144.29 6.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 73.42 110.423 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.26 130.19 34.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 63.14 109.268 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.5 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 5.9 mmt -116.29 154.17 48.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 75.5 110.975 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.01 -11.81 21.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.555 1.818 . . . . 74.43 111.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -100.94 10.36 41.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 73.32 109.28 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.469 ' HE3' ' CG ' ' A' ' 56' ' ' MET . 35.4 mtm -120.77 9.37 10.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 75.14 111.006 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 94.7 t -122.67 132.93 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 74.11 109.312 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.455 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -85.36 149.08 25.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 75.13 109.3 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.17 14.53 33.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.547 1.154 . . . . 72.01 110.97 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 69.2 t80 -80.68 174.96 11.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 0.761 . . . . 74.54 111.008 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.565 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 171.77 158.88 0.24 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 71.24 109.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 72.14 111.002 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 75.25 109.268 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.9 ptp . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.515 0.198 . . . . 74.34 110.98 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -126.3 114.94 18.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 75.44 109.326 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -57.31 113.11 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 63.11 110.294 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -91.46 113.7 26.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 73.3 110.278 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m -101.28 149.8 23.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 75.44 109.961 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.28 139.39 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 74.54 109.304 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.4 t -136.37 128.93 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 71.44 109.316 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.24 105.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 75.12 109.304 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.18 -26.48 68.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 71.43 109.306 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.446 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 4.2 pt20 -156.52 175.13 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 75.32 110.306 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tp -55.84 118.08 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 73.33 109.269 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 49' ' ' VAL . 13.0 mt -120.05 108.03 39.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.088 . . . . 71.43 109.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.494 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.02 172.06 17.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 70.35 111.013 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 47' ' ' GLN . 13.1 tt -73.4 140.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 74.12 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 69.77 30.6 3.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 72.15 109.304 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.494 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 37.1 m -105.91 112.75 25.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 63.35 110.392 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.72 112.14 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 72.41 109.244 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.438 HD22 ' CG1' ' A' ' 45' ' ' VAL . 68.9 mt -57.31 149.22 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 72.31 109.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 p -142.39 160.83 39.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 75.31 110.413 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.509 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.0 tp -66.42 -11.12 50.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 75.33 109.302 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.57 2.37 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 73.22 109.34 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.405 ' HG2' ' NE2' ' A' ' 9' ' ' GLN . 23.3 mtm -125.52 8.75 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 71.54 111.023 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.417 ' SD ' ' CB ' ' A' ' 40' ' ' LEU . 77.9 mtm -137.63 156.63 47.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 74.42 111.019 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 24' ' ' THR . 9.5 t -161.09 -167.19 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 72.33 110.421 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.437 ' N ' ' OG1' ' A' ' 23' ' ' THR . 24.9 p -127.93 152.38 47.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 75.43 110.383 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 178.02 132.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 65.24 110.294 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.84 91.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 74.44 109.31 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.487 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 12.8 m -110.19 165.03 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 70.23 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.444 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 4.1 t -137.52 130.66 17.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 62.14 110.017 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.93 162.59 92.51 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.048 -2.48 . . . . 72.41 111.017 -0.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -75.82 151.25 37.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 73.21 110.379 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.441 ' CA ' ' HE2' ' A' ' 56' ' ' MET . . . -127.98 -143.98 5.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 64.51 111.034 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.456 ' CG2' ' HB2' ' A' ' 36' ' ' ASP . 91.0 mt -45.65 141.24 4.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 75.12 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.415 ' HD2' ' CG2' ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.96 149.82 37.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.802 . . . . 74.12 111.024 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.25 -15.43 47.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 70.12 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.81 -6.04 50.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 73.15 110.298 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.456 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . 16.4 m-20 -102.52 -3.13 27.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 64.31 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.538 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -44.67 -50.04 25.24 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 73.41 109.299 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.98 -17.62 19.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 64.11 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.464 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 67.0 mtp180 -79.99 -30.31 39.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 75.54 110.36 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.49 ' CD1' ' CG1' ' A' ' 60' ' ' VAL . 3.5 mm? -78.23 -29.84 48.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 74.54 109.268 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.2 mm -50.79 127.17 6.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 72.21 109.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.7 p 89.92 -29.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 60.53 110.026 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.412 ' CE ' HG12 ' A' ' 60' ' ' VAL . 2.3 mtm -84.46 130.17 34.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 74.34 111.017 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.5 mt-30 -83.01 -179.0 7.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 72.22 110.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.438 ' CG1' HD22 ' A' ' 17' ' ' LEU . 2.5 m -111.02 143.21 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 74.32 109.258 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -92.39 31.85 1.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 62.23 109.328 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.446 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 9.3 tt0 177.29 149.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 71.23 110.323 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.408 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.9 t -66.65 104.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 71.31 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 11' ' ' ILE . 11.7 t -106.74 104.48 51.46 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 74.02 109.303 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.76 28.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 74.31 110.978 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.446 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 34.8 ttm -61.85 145.39 52.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 72.42 111.0 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.415 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 84.29 -11.53 57.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 51.42 111.008 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.4 m -82.66 117.29 22.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 0.723 . . . . 65.25 110.403 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.487 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 99.8 m -49.67 144.12 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 62.3 110.413 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.45 125.63 34.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 72.4 109.329 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.469 ' CG ' ' HE2' ' A' ' 59' ' ' MET . 7.9 mmt -110.79 154.45 43.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 75.24 111.003 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.604 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.1 Cg_endo -75.02 -15.4 20.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 75.13 110.989 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -99.92 12.34 37.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 74.42 109.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.469 ' HE2' ' CG ' ' A' ' 56' ' ' MET . 27.0 mtm -120.94 10.76 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 63.44 111.006 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.49 ' CG1' ' CD1' ' A' ' 40' ' ' LEU . 45.4 t -125.87 136.93 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 72.24 109.314 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.437 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -89.89 142.83 27.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.42 109.297 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.21 15.21 67.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.092 . . . . 63.34 110.982 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.622 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 45.8 t80 -86.39 173.64 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 75.21 111.02 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.622 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 161.85 160.45 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 71.32 109.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 64.12 111.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 74.23 109.278 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 9.4 ptm . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.492 0.187 . . . . 73.42 111.053 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -131.02 117.65 19.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 73.31 109.328 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -73.21 109.42 6.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 75.13 110.332 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -87.62 117.34 26.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 75.05 110.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 m -102.64 154.24 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 72.42 109.97 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 77.7 t -63.46 136.84 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 75.23 109.274 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.9 t -131.88 125.15 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 70.31 109.315 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.72 105.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 72.35 109.313 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.07 -27.95 69.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 72.5 109.334 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.448 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 0.2 OUTLIER -148.16 175.91 10.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 73.22 110.293 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 tp -63.59 103.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 75.22 109.277 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.413 ' CD1' ' O ' ' A' ' 21' ' ' MET . 18.7 mt -99.67 109.14 54.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 75.34 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.486 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.4 Cg_endo -74.99 169.14 23.29 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.497 1.788 . . . . 74.23 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 tt -71.19 141.83 16.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 71.02 109.324 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 66.78 31.41 7.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 75.14 109.298 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.486 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 26.7 m -107.34 112.11 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 75.21 110.373 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.411 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.92 110.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 72.53 109.31 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 HD22 ' CG1' ' A' ' 45' ' ' VAL . 62.5 mt -56.96 148.02 22.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 72.52 109.256 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.7 p -141.3 161.68 37.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 64.45 110.365 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.55 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.2 tp -66.15 -13.09 59.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 73.14 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -98.24 0.45 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 72.01 109.301 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.413 ' O ' ' CD1' ' A' ' 11' ' ' ILE . 34.0 mtm -125.59 9.31 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 74.43 111.014 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.436 ' CE ' HG12 ' A' ' 41' ' ' ILE . 75.3 mtm -137.14 154.8 50.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 73.23 111.007 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 24' ' ' THR . 9.2 t -161.62 -173.2 3.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 74.41 110.402 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.429 ' N ' ' OG1' ' A' ' 23' ' ' THR . 18.3 p -123.72 149.17 45.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 73.03 110.446 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? 179.89 132.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 75.45 110.299 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 t -65.7 106.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 74.44 109.29 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.501 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 12.4 m -128.12 165.17 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 70.55 109.334 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.474 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.0 t -138.38 130.75 16.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 74.23 110.016 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.0 162.78 92.18 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.027 -2.489 . . . . 72.33 110.999 0.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 p -79.85 150.28 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 75.53 110.391 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.454 ' CA ' ' HE2' ' A' ' 56' ' ' MET . . . -126.44 -146.37 6.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 65.03 110.977 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 56' ' ' MET . 62.7 mt -43.76 139.74 2.74 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.457 0.739 . . . . 74.45 109.275 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 147.77 34.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 74.55 110.992 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.11 -19.74 54.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 74.22 109.305 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -71.61 -4.48 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 71.11 110.31 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.481 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 8.9 m-20 -106.55 4.71 28.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 71.35 109.323 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.26 -49.72 83.38 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 73.45 109.319 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.04 -1.52 11.34 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 73.44 111.006 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 66.0 mtp180 -97.6 -41.2 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 71.23 110.305 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 3.9 mm? -68.35 -26.56 65.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 72.41 109.334 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.55 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.5 mm -55.64 130.17 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 70.22 109.269 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 87.56 -16.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 72.24 109.991 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.467 ' CE ' HG13 ' A' ' 60' ' ' VAL . 1.5 mtm -98.2 129.62 44.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 75.14 111.007 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.2 mt-30 -80.57 179.05 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 73.2 110.302 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.442 ' O ' ' CE ' ' A' ' 61' ' ' LYS . 2.5 m -109.73 143.23 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 71.2 109.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -92.4 32.96 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 72.3 109.301 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.449 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 8.9 tt0 175.32 149.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 75.13 110.299 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.409 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.5 t -66.36 107.41 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 73.32 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.8 t -106.03 104.43 49.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 75.23 109.267 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 151.19 39.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 63.32 110.984 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.448 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 32.8 ttm -50.03 142.91 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 73.42 110.993 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 85.95 -12.32 60.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.559 1.162 . . . . 71.32 110.982 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.4 m -83.93 115.41 22.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 63.44 110.379 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.501 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 45.3 m -50.67 142.94 10.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 74.42 110.437 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.8 mt -89.47 134.41 34.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 74.01 109.319 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.505 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 7.0 mmt -116.76 158.08 44.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 74.43 110.977 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.97 -9.96 21.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.821 . . . . 75.33 111.055 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -104.63 11.44 34.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 73.54 109.32 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.449 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 32.5 mtm -120.75 5.11 10.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 74.3 111.011 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' A' ' 40' ' ' LEU . 96.4 t -119.33 137.22 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 74.21 109.301 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -89.69 146.75 24.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 72.43 109.294 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.64 16.05 54.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.55 1.156 . . . . 71.53 111.029 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.607 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 50.3 t80 -85.32 173.6 10.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 74.23 110.973 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.607 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 161.96 160.44 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 60.21 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 72.42 110.99 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 75.23 109.304 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.451 ' SD ' ' N ' ' A' ' 0' ' ' MET . 1.8 pmm? . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.489 0.185 . . . . 71.33 111.026 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -139.91 123.55 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 72.22 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -109.92 103.83 12.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 72.31 110.265 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -85.33 112.81 21.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 72.21 110.292 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.97 149.46 24.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 73.25 110.02 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.439 ' CG1' HD22 ' A' ' 55' ' ' LEU . 61.1 t -61.34 135.86 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 72.1 109.283 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.9 t -132.81 124.14 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 62.41 109.312 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.34 105.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 74.22 109.327 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.31 -26.04 68.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 65.12 109.275 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.463 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 1.5 pt20 -156.62 169.81 23.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 72.32 110.324 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.8 tp -49.34 128.05 16.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 73.01 109.279 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' VAL . 14.9 mt -130.26 106.2 16.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 73.04 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.504 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.05 173.31 14.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.504 1.792 . . . . 75.53 110.969 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.9 tt -67.75 143.67 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 71.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.516 ' N ' HD21 ' A' ' 14' ' ' ASN . 1.2 m-80 60.96 40.34 15.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 75.21 109.338 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.504 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 18.3 m -106.65 108.85 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 72.15 110.372 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -51.9 105.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 75.23 109.331 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.431 HD23 ' CG1' ' A' ' 45' ' ' VAL . 67.2 mt -55.43 148.05 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 72.33 109.317 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -143.39 162.21 36.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 75.35 110.362 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.0 tp -66.86 -12.09 57.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 75.12 109.256 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.77 1.03 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 74.3 109.335 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.4 mtm -125.52 9.59 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 71.01 111.01 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -138.36 157.91 45.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 74.4 111.005 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.9 t -161.69 -173.65 3.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 72.13 110.343 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -124.48 150.11 46.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 72.51 110.392 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 179.27 129.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 75.33 110.302 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 t -63.87 102.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 75.01 109.289 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.448 ' CG2' ' OG1' ' A' ' 54' ' ' THR . 13.4 m -122.56 165.68 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 74.11 109.301 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.445 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.6 t -137.55 130.43 16.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 74.4 110.006 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.0 162.47 92.79 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.947 -2.522 . . . . 62.54 111.047 -0.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -78.9 144.51 34.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 75.23 110.416 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.435 ' CA ' ' HE3' ' A' ' 56' ' ' MET . . . -122.58 -144.6 6.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 70.33 111.008 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 56' ' ' MET . 13.9 mt -41.38 137.44 1.69 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 73.05 109.329 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.97 29.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 70.21 110.992 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.37 -19.64 56.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 75.02 109.281 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.01 -3.43 26.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 65.32 110.294 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.488 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 19.6 m-20 -108.93 6.28 25.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 74.11 109.275 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.551 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.14 -49.55 83.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 63.15 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.98 -2.05 12.03 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 73.25 111.001 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 18.4 mtm180 -97.38 -39.92 8.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 75.03 110.303 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 36' ' ' ASP . 3.9 mm? -69.63 -25.83 64.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 74.34 109.304 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.06 131.3 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 73.11 109.315 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.2 t 86.39 -14.05 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 70.52 109.962 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.469 ' CE ' HG13 ' A' ' 60' ' ' VAL . 1.4 mtm -99.38 130.68 45.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 71.53 111.029 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 4.9 mt-30 -82.84 174.0 11.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.32 110.317 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.434 ' O ' ' CE ' ' A' ' 61' ' ' LYS . 5.0 m -105.33 144.0 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 75.23 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.454 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 20.2 p30 -93.37 34.34 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 73.14 109.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 10.0 tt0 175.77 151.21 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 71.33 110.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.412 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 3.3 t -68.88 102.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 72.13 109.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' ILE . 10.6 t -103.55 106.67 53.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 74.53 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 162.25 37.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 74.21 111.01 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 30.5 ttm -61.96 143.04 57.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 74.51 110.958 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 85.99 -9.32 69.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 70.34 111.055 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.8 m -87.96 116.97 26.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 63.22 110.418 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.448 ' OG1' ' CG2' ' A' ' 27' ' ' VAL . 79.5 m -49.65 144.05 6.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 75.12 110.436 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.439 HD22 ' CG1' ' A' ' 5' ' ' VAL . 7.8 tp -91.41 137.16 32.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 74.25 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.486 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 7.1 mmt -118.88 157.93 49.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 63.12 111.041 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.597 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -8.57 20.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.781 . . . . 72.43 111.043 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.28 0.01 33.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 70.32 109.317 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.453 ' C ' ' ND2' ' A' ' 46' ' ' ASN . 37.9 mtm -109.75 11.24 24.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 74.4 111.028 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 63' ' ' TYR . 96.2 t -124.52 135.3 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 73.5 109.312 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -88.35 149.92 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 74.12 109.298 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.4 14.57 27.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 62.45 111.075 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 63.6 t80 -80.42 174.53 11.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.783 . . . . 75.44 111.013 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.583 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.4 159.93 0.34 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 65.23 109.313 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 75.04 111.036 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 73.41 109.287 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.7 ptm . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.519 0.2 . . . . 73.35 111.036 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -124.97 121.66 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 75.51 109.247 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -62.92 115.53 4.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 75.33 110.301 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -93.66 115.31 27.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 74.43 110.315 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 m -102.43 149.24 24.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 70.42 109.98 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.19 138.87 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 71.3 109.315 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.5 t -135.79 126.66 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 71.34 109.279 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.18 106.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 61.32 109.265 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.58 -25.8 68.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 54.51 109.272 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.445 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 4.0 pt20 -156.5 178.28 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 73.52 110.301 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.5 tp -59.08 113.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 72.32 109.322 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 49' ' ' VAL . 17.6 mt -113.07 107.84 53.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.44 109.254 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.5 ' HD2' ' CG2' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.01 171.05 19.07 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 75.03 111.002 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 tt -72.15 146.0 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 73.44 109.348 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.442 ' OD1' ' NZ ' ' A' ' 61' ' ' LYS . 7.8 m-80 63.4 28.55 15.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 75.22 109.273 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.5 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 31.8 m -104.19 111.74 24.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 74.41 110.397 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.59 111.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 61.23 109.277 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.456 HD23 ' CG1' ' A' ' 45' ' ' VAL . 55.1 mt -55.93 149.78 14.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 72.53 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.6 p -143.42 161.5 38.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 74.22 110.363 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.541 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.4 tp -65.61 -15.35 62.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 72.24 109.307 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 m -96.15 1.0 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 74.34 109.293 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 16.8 mtm -125.61 6.76 7.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 73.54 110.993 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.2 mtm -138.61 157.5 46.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 73.02 110.991 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.4 t -161.47 -155.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 75.34 110.408 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.9 p -138.31 152.89 48.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 75.22 110.46 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? 176.78 136.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 75.13 110.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.9 100.08 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 71.51 109.332 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.2 m -120.26 166.47 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 74.23 109.269 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.473 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -139.48 130.74 14.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 73.41 110.028 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.96 162.7 92.32 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.965 -2.514 . . . . 70.44 111.033 -0.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -77.91 150.3 34.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 75.43 110.385 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.456 ' CA ' ' HE2' ' A' ' 56' ' ' MET . . . -126.87 -143.61 5.86 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.505 1.128 . . . . 71.42 111.033 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.404 ' CD1' HG21 ' A' ' 60' ' ' VAL . 88.4 mt -45.64 140.4 4.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.431 0.724 . . . . 75.2 109.264 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 145.73 32.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.449 1.763 . . . . 75.43 110.99 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.41 -20.87 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 75.22 109.267 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.01 -5.22 29.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 64.33 110.331 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.458 ' OD1' ' NH2' ' A' ' 39' ' ' ARG . 12.8 m-20 -105.99 6.44 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 61.55 109.346 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -49.53 -50.04 68.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 75.44 109.292 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -10.52 21.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.568 1.825 . . . . 72.1 110.996 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 13.2 mtm180 -86.38 -36.49 19.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 73.34 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD13 ' CG2' ' A' ' 60' ' ' VAL . 4.1 mm? -74.53 -27.21 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.23 109.338 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.541 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -55.96 130.82 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 70.34 109.321 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.3 m 86.52 -14.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 63.2 110.01 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.467 ' CE ' HG13 ' A' ' 60' ' ' VAL . 1.5 mtm -99.97 127.71 46.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 74.32 110.995 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 4.2 mt-30 -79.45 -179.83 7.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 74.02 110.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.456 ' CG1' HD23 ' A' ' 17' ' ' LEU . 3.7 m -112.76 143.67 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 74.15 109.274 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.503 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 17.1 p30 -91.87 33.32 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 73.04 109.356 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.442 ' NE2' ' SD ' ' A' ' 59' ' ' MET . 9.1 tt0 175.66 148.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 65.3 110.286 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.408 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -66.95 104.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 74.13 109.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' ILE . 13.8 t -106.64 105.35 54.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 71.44 109.333 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 166.5 29.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 73.52 110.998 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.445 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 16.6 ttp -62.21 146.7 50.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 72.3 111.037 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.2 -9.45 60.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 61.11 110.992 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.0 m -85.39 118.56 25.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 75.12 110.379 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 61.8 m -50.26 144.05 7.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 75.44 110.394 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.66 125.99 35.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 72.43 109.324 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.456 ' HE2' ' CA ' ' A' ' 31' ' ' GLY . 5.9 mmt -112.41 153.99 44.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 73.3 110.958 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.625 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.02 -8.81 20.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 74.15 110.979 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.19 0.26 40.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 71.24 109.328 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.446 ' HE3' ' CG ' ' A' ' 56' ' ' MET . 43.9 mtm -114.11 20.87 15.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.53 111.003 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.503 ' N ' ' ND2' ' A' ' 46' ' ' ASN . 95.6 t -132.81 128.82 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 73.22 109.266 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' NZ ' ' OD1' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -83.18 150.41 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 71.42 109.315 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.7 14.96 24.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 51.52 110.995 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 66.7 t80 -80.21 174.71 11.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 0.785 . . . . 74.21 110.996 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.566 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 175.03 159.66 0.37 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 65.15 109.321 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.479 1.778 . . . . 73.55 110.966 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 54.22 109.295 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.327 -0.249 . . . . 72.31 110.327 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -90.89 114.67 27.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 73.02 110.281 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 m -101.93 155.46 18.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 71.32 109.981 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.827 ' CG1' HD12 ' A' ' 55' ' ' LEU . 81.1 t -64.17 136.13 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 70.21 109.309 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.689 ' O ' HG22 ' A' ' 23' ' ' THR . 43.1 t -132.46 124.58 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 53.04 109.317 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.7 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -48.73 106.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 72.02 109.289 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.38 -25.99 68.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 52.31 109.275 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.476 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 3.4 pt20 -157.71 173.11 17.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 74.04 110.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 50' ' ' PRO . 15.5 tp -48.67 131.55 17.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 75.04 109.283 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.7 HD12 ' HB1' ' A' ' 7' ' ' ALA . 9.9 mt -135.99 104.02 9.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 53.21 109.274 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.743 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.0 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 62.44 111.019 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 47' ' ' GLN . 3.0 tt -68.26 139.71 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 43.43 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 66.02 38.85 4.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 63.52 109.318 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.743 HG21 ' HD2' ' A' ' 12' ' ' PRO . 15.9 m -106.03 110.5 22.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 53.33 110.386 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.41 107.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.23 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.448 HD21 HG13 ' A' ' 45' ' ' VAL . 65.3 mt -58.02 147.79 28.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 53.52 109.348 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.8 p -143.49 162.1 36.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 71.53 110.391 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.552 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.3 tp -66.32 -11.82 53.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 65.14 109.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 m -100.37 0.18 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 64.23 109.336 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.567 ' O ' HD11 ' A' ' 11' ' ' ILE . 18.0 mtm -125.29 10.52 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 73.41 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.1 mtm -139.96 155.65 47.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 63.22 111.008 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.8 t -161.63 -169.3 2.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 65.01 110.418 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.446 ' N ' ' OG1' ' A' ' 23' ' ' THR . 17.9 p -127.09 148.89 50.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 72.11 110.416 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -178.17 137.89 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 74.03 110.323 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 t -70.21 101.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 73.53 109.287 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.836 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.5 m -123.54 164.84 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 64.41 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.434 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.5 t -139.0 130.99 15.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 73.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.0 162.74 92.24 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.005 -2.498 . . . . 73.42 111.017 -0.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 p -79.04 150.28 31.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 74.53 110.441 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.555 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.65 -145.7 6.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 52.43 110.996 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.678 HG21 HD21 ' A' ' 40' ' ' LEU . 68.0 mt -43.37 139.7 2.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 72.11 109.285 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.599 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -75.02 146.85 33.06 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.454 1.765 . . . . 64.12 110.989 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.2 -19.95 56.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 52.22 109.325 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.46 -4.87 28.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 63.15 110.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.561 ' O ' HD23 ' A' ' 40' ' ' LEU . 13.7 m-20 -106.36 5.15 29.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 74.43 109.307 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.19 -50.2 80.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 72.54 109.293 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.96 -2.07 12.05 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.491 1.785 . . . . 53.44 111.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 69.2 mtp180 -97.4 -38.86 9.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 75.42 110.32 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.78 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -70.85 -25.57 62.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 65.13 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.552 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.26 130.42 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 72.05 109.293 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.3 t 86.9 -14.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 72.33 109.998 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.459 ' HE2' HD13 ' A' ' 40' ' ' LEU . 1.5 mtm -98.66 131.0 45.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 74.34 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.2 mt-30 -84.02 174.67 10.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 65.23 110.293 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.585 HG21 HG22 ' A' ' 11' ' ' ILE . 3.7 m -104.19 152.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 75.12 109.308 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.493 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 27.1 p30 -101.72 29.35 4.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 74.12 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.597 ' O ' HG23 ' A' ' 49' ' ' VAL . 37.7 tt0 -179.92 151.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 73.32 110.292 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.464 HG22 ' HA ' ' A' ' 12' ' ' PRO . 3.4 t -69.65 100.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 64.11 109.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 47' ' ' GLN . 2.9 t -102.64 107.23 53.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 73.22 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.508 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.0 Cg_endo -75.05 159.98 40.55 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.466 1.772 . . . . 75.24 110.96 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.476 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 31.6 ttm -56.94 142.67 40.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 72.1 110.99 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 86.1 -11.28 63.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.452 1.095 . . . . 54.23 111.039 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.5 m -83.69 114.64 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 71.51 110.384 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.836 ' OG1' HG21 ' A' ' 27' ' ' VAL . 56.5 m -49.68 141.87 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 75.23 110.409 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.827 HD12 ' CG1' ' A' ' 5' ' ' VAL . 5.4 mt -89.25 134.07 34.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 75.44 109.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.678 ' O ' HD11 ' A' ' 32' ' ' ILE . 8.6 mmt -115.06 157.88 42.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 73.14 110.976 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.591 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.03 -9.33 20.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 62.23 111.009 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -106.44 11.95 30.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 72.12 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 28.0 mtm -120.83 8.67 10.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 63.41 110.968 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.78 HG11 ' CD1' ' A' ' 40' ' ' LEU . 96.7 t -120.87 134.5 64.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 71.34 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.493 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.8 mtpp -89.84 131.29 35.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 73.43 109.275 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.25 18.68 75.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.15 . . . . 33.13 110.988 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.695 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 58.2 t80 -89.53 173.84 8.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 74.1 111.011 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 161.64 159.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 71.34 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.506 1.792 . . . . 74.15 111.037 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.304 -0.258 . . . . 74.52 110.304 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -83.76 113.19 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 41.14 110.306 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 6' ' ' VAL . 13.6 m -101.85 152.67 20.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.43 110.009 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.599 HG12 ' HB2' ' A' ' 55' ' ' LEU . 72.0 t -60.7 139.33 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 51.43 109.312 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.621 ' O ' HG22 ' A' ' 23' ' ' THR . 61.8 t -136.57 128.74 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 71.01 109.321 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -49.87 106.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 53.34 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.04 68.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 54.13 109.333 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.438 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 7.5 pt20 -157.83 177.05 11.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 50.21 110.312 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 50' ' ' PRO . 8.4 tp -56.99 119.35 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 74.52 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.751 HD11 ' O ' ' A' ' 21' ' ' MET . 10.6 mt -120.14 109.08 37.55 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 71.24 109.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.863 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.99 171.02 19.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.789 . . . . 61.3 110.977 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.4 tt -73.04 139.5 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 73.02 109.28 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 69.8 31.79 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 62.14 109.338 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.863 HG21 ' HD2' ' A' ' 12' ' ' PRO . 28.9 m -106.36 111.39 23.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 71.21 110.388 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 18' ' ' THR . . . -52.75 109.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 62.21 109.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.468 ' CD1' HD12 ' A' ' 40' ' ' LEU . 62.0 mt -54.73 149.27 11.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 63.2 109.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 16' ' ' ALA . 24.5 p -142.92 161.94 36.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 73.13 110.393 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.8 tp -66.28 -12.74 58.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 72.14 109.28 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.431 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 2.4 m -99.3 0.98 10.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 54.12 109.272 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.751 ' O ' HD11 ' A' ' 11' ' ' ILE . 15.3 mtm -125.62 10.33 7.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 73.34 111.021 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.2 mtm -140.21 155.89 46.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.44 110.954 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 6' ' ' VAL . 8.8 t -161.77 -166.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 42.44 110.429 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.434 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.3 p -127.58 152.11 48.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 73.34 110.409 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 179.62 139.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 72.1 110.301 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.55 92.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 73.12 109.327 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.789 HG21 ' OG1' ' A' ' 54' ' ' THR . 9.2 m -113.28 163.37 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 74.53 109.273 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.451 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.74 131.35 15.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 71.31 109.967 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.93 162.64 92.41 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.005 -2.498 . . . . 75.21 111.058 -0.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -75.85 153.07 37.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 41.12 110.408 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.39 -140.91 5.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 53.32 110.976 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.759 HD11 ' O ' ' A' ' 56' ' ' MET . 38.7 mt -48.21 142.39 7.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 74.31 109.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.726 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.03 146.41 32.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 55.21 110.962 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.15 -20.1 62.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 42.34 109.305 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.84 -5.81 40.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 74.15 110.356 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.54 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.4 m-20 -105.16 2.62 29.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 73.13 109.281 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -47.6 -49.29 56.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 71.32 109.319 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.0 -13.7 21.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 70.2 110.992 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 12.8 mtm180 -83.56 -34.01 25.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 74.35 110.344 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.779 ' CD1' HG21 ' A' ' 60' ' ' VAL . 3.7 mm? -75.25 -27.01 59.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 71.22 109.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.7 mm -55.76 130.91 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 73.35 109.282 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 86.33 -14.75 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 65.21 109.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -97.97 127.39 43.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 74.43 111.004 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.6 mt-30 -80.86 179.66 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 52.53 110.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.448 HG21 HG22 ' A' ' 11' ' ' ILE . 4.4 m -110.73 150.33 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 61.44 109.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 17.9 p30 -99.38 27.55 5.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 75.33 109.307 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.703 ' O ' HG23 ' A' ' 49' ' ' VAL . 40.2 tt0 -178.63 147.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 74.34 110.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.65 102.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 75.4 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 47' ' ' GLN . 15.9 t -104.99 105.47 51.58 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 70.14 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.453 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -74.99 167.81 26.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 62.13 111.011 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.438 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 8.3 ttp -64.69 148.53 50.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 60.43 111.009 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.46 -7.21 61.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 63.05 111.052 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.5 m -88.77 119.13 28.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 64.32 110.377 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.789 ' OG1' HG21 ' A' ' 27' ' ' VAL . 87.5 m -49.72 144.4 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 63.25 110.37 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.599 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -89.12 124.9 34.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 61.41 109.302 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.759 ' O ' HD11 ' A' ' 32' ' ' ILE . 8.2 mmt -108.52 152.94 42.34 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 73.53 111.006 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.592 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -14.57 21.14 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.475 1.776 . . . . 60.42 111.02 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -100.96 12.75 37.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 51.5 109.294 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.622 ' HE2' ' H ' ' A' ' 56' ' ' MET . 24.5 mtm -120.61 7.4 10.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 72.11 111.02 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.779 HG21 ' CD1' ' A' ' 40' ' ' LEU . 42.7 t -121.58 135.11 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 73.11 109.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.487 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.8 mtpp -89.49 136.2 33.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 70.01 109.275 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.65 15.48 81.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 63.45 110.999 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 45.4 t80 -87.79 174.38 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 60.32 111.024 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.623 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.02 159.69 0.32 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 44.25 109.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 74.4 111.052 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.27 -0.27 . . . . 72.45 110.27 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -96.84 115.9 28.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 74.41 110.309 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.9 m -101.45 150.46 23.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 63.35 110.009 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.603 HG11 HD22 ' A' ' 55' ' ' LEU . 78.0 t -61.11 134.44 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 62.3 109.31 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.764 ' O ' HG22 ' A' ' 23' ' ' THR . 61.2 t -129.86 126.11 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 53.52 109.346 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.91 104.75 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 73.03 109.307 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.9 69.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 62.12 109.321 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.439 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 5.0 pt20 -154.25 176.28 12.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 73.21 110.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 50' ' ' PRO . 9.8 tp -56.57 119.65 6.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 61.32 109.255 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.473 HG21 HD23 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -117.14 105.22 49.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 74.2 109.314 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.873 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.99 161.57 38.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 61.43 110.984 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.49 HG23 ' ND2' ' A' ' 14' ' ' ASN . 2.0 tt -66.05 140.19 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 74.52 109.306 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.49 ' ND2' HG23 ' A' ' 13' ' ' ILE . 8.1 m-80 69.68 29.89 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 62.12 109.322 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.873 HG21 ' HD2' ' A' ' 12' ' ' PRO . 32.3 m -106.29 112.07 24.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 75.34 110.461 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.53 109.74 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 61.32 109.336 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.473 HD23 HG21 ' A' ' 11' ' ' ILE . 61.7 mt -54.9 149.8 11.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 74.02 109.304 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 p -143.42 161.63 37.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 71.34 110.399 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.0 tp -66.02 -14.78 62.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 64.33 109.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -97.58 1.68 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 63.23 109.289 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.403 ' O ' HD11 ' A' ' 11' ' ' ILE . 16.2 mtm -125.67 8.89 7.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 74.32 111.005 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -138.63 158.23 44.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 73.41 110.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 6' ' ' VAL . 10.3 t -161.77 -167.9 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 61.01 110.403 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.441 ' N ' ' OG1' ' A' ' 23' ' ' THR . 22.1 p -129.44 149.5 51.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 52.35 110.375 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 179.15 135.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 74.11 110.321 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.97 103.2 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 62.54 109.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.697 HG21 ' OG1' ' A' ' 54' ' ' THR . 14.9 m -123.6 167.06 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 43.14 109.284 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.474 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 6.8 t -139.23 130.39 14.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 75.11 109.99 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.95 162.86 91.98 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.988 -2.505 . . . . 70.22 111.028 -0.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -80.5 148.83 30.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.14 110.409 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.626 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.39 -145.94 6.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 24.43 110.992 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 56' ' ' MET . 66.6 mt -41.3 138.83 1.45 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 74.45 109.329 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.578 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.97 144.94 30.94 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 52.34 110.984 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.28 -20.29 58.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 75.21 109.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.28 -5.16 30.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 70.25 110.282 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.545 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.5 m-20 -106.24 6.65 30.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 65.15 109.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.03 -50.28 79.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 62.12 109.298 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.01 -1.91 11.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.436 1.756 . . . . 71.2 110.981 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 16.6 mtm180 -97.23 -38.83 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.11 110.312 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.748 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -70.78 -26.51 63.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 63.45 109.311 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -55.81 131.22 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 74.11 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.4 t 86.49 -14.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 64.5 109.967 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mtm -99.28 128.22 45.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 63.14 110.987 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.3 mt-30 -80.21 179.42 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 71.02 110.304 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.439 ' O ' ' CE ' ' A' ' 61' ' ' LYS . 2.9 m -110.85 143.01 21.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 72.02 109.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -92.72 31.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 72.03 109.28 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.581 ' O ' HG23 ' A' ' 49' ' ' VAL . 41.3 tt0 177.73 148.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 63.24 110.252 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.413 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -63.5 106.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 74.23 109.314 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 47' ' ' GLN . 68.0 t -109.31 100.69 42.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.12 109.288 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.01 168.4 24.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.788 . . . . 74.35 111.013 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.4 ttp -64.74 149.96 48.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 72.53 111.006 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.99 -3.41 65.3 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.134 . . . . 71.12 110.986 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.2 m -95.2 115.48 27.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 0.737 . . . . 75.32 110.376 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.697 ' OG1' HG21 ' A' ' 27' ' ' VAL . 38.6 m -49.77 144.3 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 54.35 110.409 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.603 HD22 HG11 ' A' ' 5' ' ' VAL . 9.7 tp -91.15 136.07 33.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 73.41 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.67 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.4 mmt -119.37 158.06 49.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 75.5 110.981 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.01 -8.9 20.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 72.33 110.983 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -103.7 10.25 36.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 74.41 109.294 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.636 ' HE2' ' H ' ' A' ' 56' ' ' MET . 37.5 mtm -120.77 9.04 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 72.24 111.019 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.748 HG11 ' CD1' ' A' ' 40' ' ' LEU . 96.2 t -123.07 133.74 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 42.31 109.297 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -86.69 149.85 24.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 74.34 109.302 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.67 14.21 28.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 65.33 111.006 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 71.0 t80 -80.0 175.06 10.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.798 . . . . 62.33 111.01 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.564 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 172.67 158.92 0.26 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 62.05 109.341 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 54.32 110.988 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.304 -0.258 . . . . 73.41 110.304 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -89.15 114.75 26.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 74.41 110.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.4 m -103.39 152.02 22.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 74.3 109.978 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.578 HG11 ' CD2' ' A' ' 55' ' ' LEU . 75.8 t -61.44 135.43 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 72.32 109.263 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.47 ' O ' HG22 ' A' ' 23' ' ' THR . 62.0 t -131.87 125.83 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 75.32 109.285 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.63 105.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 75.12 109.324 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.64 -26.2 68.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 61.32 109.327 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.99 -175.18 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 61.25 110.258 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.8 tp -72.62 105.4 4.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 73.12 109.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.539 HG21 HD23 ' A' ' 17' ' ' LEU . 1.8 mt -100.1 108.95 54.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 74.42 109.293 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.85 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.1 Cg_endo -74.99 168.72 24.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 72.24 110.957 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.936 HD12 ' HA ' ' A' ' 47' ' ' GLN . 7.2 tt -70.0 137.68 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 71.35 109.278 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 66.51 41.42 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 74.53 109.307 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.85 HG21 ' HD2' ' A' ' 12' ' ' PRO . 31.5 m -114.55 110.7 20.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 72.42 110.395 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -49.73 107.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 73.43 109.268 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.539 HD23 HG21 ' A' ' 11' ' ' ILE . 58.9 mt -54.34 149.89 9.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 74.11 109.274 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 p -143.34 161.14 39.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 73.12 110.419 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.3 tp -65.41 -17.35 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 75.12 109.271 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -94.29 1.01 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 60.33 109.335 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.51 ' O ' HD11 ' A' ' 11' ' ' ILE . 27.5 mtm -125.55 6.46 7.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 71.42 110.97 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -139.98 157.17 46.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 73.13 110.983 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 24' ' ' THR . 15.2 t -161.39 -152.03 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 71.23 110.435 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.495 ' N ' HG23 ' A' ' 23' ' ' THR . 30.2 p -141.84 151.06 42.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 75.55 110.412 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? 179.91 143.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 72.51 110.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -74.85 97.46 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 71.35 109.294 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.801 HG21 ' OG1' ' A' ' 54' ' ' THR . 8.4 m -119.11 163.0 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 73.32 109.287 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.44 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.9 t -137.54 131.08 17.15 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 70.31 110.001 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.04 162.75 92.22 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.955 -2.519 . . . . 60.11 111.001 -0.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 p -78.16 149.42 33.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 65.35 110.404 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.604 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -127.12 -145.73 6.29 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.535 1.147 . . . . 60.03 111.012 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.662 HD11 ' O ' ' A' ' 56' ' ' MET . 59.5 mt -42.26 139.27 1.85 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 64.34 109.313 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.97 145.77 31.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 74.23 110.991 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.24 -20.14 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 73.11 109.291 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.42 -4.97 29.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 71.13 110.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.556 ' O ' HD23 ' A' ' 40' ' ' LEU . 16.7 m-20 -106.37 6.39 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 33.15 109.307 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.528 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -51.86 -50.81 75.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 72.31 109.307 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.97 -1.9 11.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 71.24 111.043 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.447 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 16.0 mtm180 -97.0 -38.09 9.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 73.4 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.667 ' CD1' HG21 ' A' ' 60' ' ' VAL . 4.0 mm? -71.85 -26.41 62.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 55.02 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.04 131.29 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 72.42 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 86.46 -14.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 72.31 110.026 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mtm -99.24 127.01 45.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.097 . . . . 70.23 110.998 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.9 mt-30 -78.44 179.23 7.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 72.4 110.296 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.463 ' CG1' HD21 ' A' ' 17' ' ' LEU . 4.5 m -108.95 152.49 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 71.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.697 ' C ' HD21 ' A' ' 46' ' ' ASN . 0.2 OUTLIER -103.21 28.46 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 70.43 109.3 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.936 ' HA ' HD12 ' A' ' 13' ' ' ILE . 41.6 tt0 179.77 148.32 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 71.34 110.344 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.407 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.5 t -65.72 106.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 60.44 109.302 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 47' ' ' GLN . 6.3 t -109.41 100.55 42.03 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.33 109.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.475 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.0 155.06 42.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.479 1.778 . . . . 74.32 110.988 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.8 ttp -49.82 147.57 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 75.12 110.99 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.76 -5.58 69.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 70.52 110.981 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.8 m -91.94 116.17 28.69 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 0.763 . . . . 51.42 110.408 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.801 ' OG1' HG21 ' A' ' 27' ' ' VAL . 94.2 m -51.47 144.41 10.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 52.35 110.377 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.578 ' CD2' HG11 ' A' ' 5' ' ' VAL . 8.8 tp -91.41 134.12 34.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 55.11 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.662 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.5 mmt -119.25 158.2 49.15 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 71.22 110.988 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.586 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.99 -11.08 21.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.772 . . . . 71.33 111.039 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.62 11.51 37.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 55.04 109.304 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.468 ' HA ' HD22 ' A' ' 46' ' ' ASN . 32.7 mtm -120.96 7.61 10.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 64.22 111.005 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 40' ' ' LEU . 78.7 t -120.05 139.46 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 65.22 109.307 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.498 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -90.11 148.19 23.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.51 109.32 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.02 16.78 34.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 63.41 110.979 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 71.1 t80 -80.87 174.98 11.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 75.31 110.98 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.68 158.54 0.21 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 72.24 109.336 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.502 1.79 . . . . 65.42 111.008 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.273 -0.269 . . . . 74.1 110.273 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -92.48 115.45 28.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 72.15 110.302 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 6' ' ' VAL . 12.3 m -101.86 150.51 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 75.53 110.007 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.571 HG12 ' HB2' ' A' ' 55' ' ' LEU . 64.6 t -59.31 139.61 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 73.35 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.745 ' O ' HG22 ' A' ' 23' ' ' THR . 58.0 t -135.89 127.41 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 74.52 109.267 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.38 105.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 74.13 109.326 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.41 -26.7 68.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 73.31 109.323 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.479 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 2.8 pt20 -156.51 176.93 12.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 60.12 110.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 tp -58.21 114.49 2.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 64.34 109.261 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.914 HD11 ' O ' ' A' ' 21' ' ' MET . 14.0 mt -114.63 108.75 48.84 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 63.22 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.864 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.05 167.43 27.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.543 1.812 . . . . 70.12 110.999 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.4 tt -70.48 139.58 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 70.33 109.327 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 70.48 29.63 3.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 73.14 109.345 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.864 HG21 ' HD2' ' A' ' 12' ' ' PRO . 26.0 m -105.82 111.46 24.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 73.12 110.41 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.41 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.36 107.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 31.43 109.272 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.444 HD21 ' CG1' ' A' ' 45' ' ' VAL . 54.9 mt -53.03 149.87 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 75.32 109.295 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 p -143.53 161.5 38.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 74.33 110.389 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.5 tp -65.96 -14.93 62.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 71.44 109.273 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -97.09 1.62 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 73.02 109.28 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.914 ' O ' HD11 ' A' ' 11' ' ' ILE . 29.0 mtm -125.43 4.47 7.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 75.51 111.005 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.1 mtm -133.64 156.61 47.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 71.43 111.024 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.745 HG22 ' O ' ' A' ' 6' ' ' VAL . 10.2 t -161.59 -172.32 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 62.12 110.41 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.419 ' N ' ' OG1' ' A' ' 23' ' ' THR . 20.3 p -123.64 150.72 43.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 75.45 110.366 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -179.54 135.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 51.23 110.278 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 t -69.92 92.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 72.53 109.34 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.825 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.2 m -111.99 164.96 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 72.22 109.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.445 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 t -138.61 130.85 15.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 70.35 110.013 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.98 162.8 92.12 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.011 -2.495 . . . . 64.42 111.012 -0.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -77.73 149.73 34.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 64.43 110.396 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.91 -143.25 5.78 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.555 1.159 . . . . 54.12 110.95 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.682 HD11 ' O ' ' A' ' 56' ' ' MET . 70.4 mt -43.92 139.52 2.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 61.41 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.602 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -74.98 145.14 31.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.769 . . . . 61.22 111.01 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.32 58.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 73.22 109.318 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -4.18 27.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 74.5 110.267 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.534 ' O ' HD23 ' A' ' 40' ' ' LEU . 13.8 m-20 -107.54 5.76 27.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 70.21 109.323 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.546 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.12 -49.66 83.25 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 75.25 109.299 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -75.0 -2.94 13.19 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 73.42 111.054 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.417 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 17.3 mtm180 -96.01 -40.16 9.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 65.5 110.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.777 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -69.58 -26.42 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 44.54 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -55.83 131.75 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 75.31 109.266 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.6 t 86.31 -14.28 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 73.42 109.994 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.3 mtm -99.78 127.75 45.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 72.21 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.5 mt-30 -78.77 178.74 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 72.24 110.326 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.504 HG21 HG22 ' A' ' 11' ' ' ILE . 3.7 m -110.55 144.0 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 74.14 109.277 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.618 HD22 ' HA ' ' A' ' 59' ' ' MET . 0.8 OUTLIER -93.27 32.49 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 72.33 109.284 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.681 ' O ' HG23 ' A' ' 49' ' ' VAL . 41.1 tt0 176.24 148.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 74.41 110.263 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.411 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -64.93 107.39 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 55.12 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 47' ' ' GLN . 12.2 t -109.8 103.28 52.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 63.32 109.297 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.13 27.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 75.04 111.028 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 35.2 ttm -62.72 145.37 54.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 73.03 111.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 83.76 -10.04 60.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.554 1.159 . . . . 72.41 111.006 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.1 m -84.36 116.53 23.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 0.735 . . . . 72.25 110.376 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.825 ' OG1' HG21 ' A' ' 27' ' ' VAL . 97.3 m -49.57 144.5 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 72.23 110.393 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.571 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -87.5 133.23 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 63.43 109.309 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.682 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.0 mmt -118.14 154.0 51.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 71.24 110.984 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -9.06 20.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 71.35 111.028 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.16 -0.99 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 70.01 109.343 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.641 ' HE2' ' H ' ' A' ' 56' ' ' MET . 34.4 mtm -108.38 10.49 27.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 64.24 110.984 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.777 HG11 ' CD1' ' A' ' 40' ' ' LEU . 98.1 t -124.15 131.45 72.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 75.42 109.277 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.443 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -84.99 149.6 25.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 55.45 109.311 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.98 15.22 27.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.142 . . . . 43.44 111.01 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.601 ' HB2' HG12 ' A' ' 60' ' ' VAL . 72.7 t80 -79.19 174.57 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 73.42 111.019 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.535 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 173.99 158.77 0.32 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 72.25 109.264 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 71.15 111.002 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.297 -0.26 . . . . 44.22 110.297 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.3 114.32 26.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 70.13 110.275 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.456 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.4 m -101.7 151.79 21.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 53.14 109.969 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.68 HG12 HD23 ' A' ' 55' ' ' LEU . 93.5 t -59.87 143.23 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 73.42 109.304 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.686 ' O ' HG22 ' A' ' 23' ' ' THR . 53.7 t -139.13 124.89 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 73.24 109.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 102.89 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 64.13 109.293 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.06 -29.97 71.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 74.33 109.333 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -143.53 179.08 7.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 72.14 110.316 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 50' ' ' PRO . 8.8 tp -62.56 121.05 12.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 61.41 109.292 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.65 HG21 ' CD2' ' A' ' 17' ' ' LEU . 1.5 mt -115.82 102.92 54.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 62.32 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.862 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.02 161.22 39.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 70.33 110.991 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.951 HD12 ' HA ' ' A' ' 47' ' ' GLN . 5.6 tt -63.54 136.37 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 73.32 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 67.2 43.19 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 75.34 109.31 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.862 HG21 ' HD2' ' A' ' 12' ' ' PRO . 55.2 m -117.4 115.98 26.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 53.33 110.419 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.87 110.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 64.53 109.29 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.65 ' CD2' HG21 ' A' ' 11' ' ' ILE . 87.8 mt -59.04 149.16 28.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 74.24 109.3 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.4 p -142.94 161.12 38.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 62.35 110.412 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 7.7 tp -65.38 -17.43 64.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 74.41 109.262 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.9 m -92.23 -0.6 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 75.41 109.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.9 mtm -125.75 10.32 7.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 75.4 110.943 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.7 mtm -138.57 152.94 48.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 61.44 111.058 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.0 t -160.46 -174.26 4.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 72.32 110.396 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.1 p -121.15 146.77 46.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 61.22 110.414 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.461 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -175.54 131.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 75.45 110.262 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -66.37 97.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 75.53 109.306 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.903 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.0 m -117.17 165.7 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 71.11 109.295 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.437 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.81 130.73 15.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 74.42 110.011 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -75.0 162.81 92.12 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.035 -2.485 . . . . 75.24 111.009 0.013 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 p -76.26 149.94 37.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 53.34 110.379 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.499 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.71 -145.45 6.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.429 1.081 . . . . 64.22 111.03 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.713 HD11 ' O ' ' A' ' 56' ' ' MET . 52.8 mt -44.01 139.69 2.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 64.32 109.312 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.0 145.77 31.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 70.02 111.009 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.67 60.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 71.41 109.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.43 -4.74 28.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 64.24 110.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.536 ' O ' HD23 ' A' ' 40' ' ' LEU . 12.4 m-20 -107.29 5.27 27.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.168 . . . . 74.3 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.39 -49.65 84.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 71.13 109.278 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -1.75 11.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.53 1.805 . . . . 72.43 111.014 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 18.3 mtm180 -97.38 -40.36 8.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 72.52 110.331 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.683 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -69.13 -27.05 65.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 71.23 109.291 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -55.71 131.73 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 64.23 109.309 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 86.35 -14.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.32 109.999 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtm -98.48 130.35 45.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 64.22 110.944 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.2 mt-30 -82.74 170.9 14.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 60.33 110.278 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.628 ' CG1' HD21 ' A' ' 17' ' ' LEU . 29.1 m -100.23 154.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 53.31 109.285 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.499 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 20.6 p30 -106.04 30.52 5.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 65.14 109.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.951 ' HA ' HD12 ' A' ' 13' ' ' ILE . 40.9 tt0 178.71 148.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 71.33 110.294 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.414 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -63.12 103.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 74.11 109.309 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 47' ' ' GLN . 89.3 t -109.95 99.73 40.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 73.34 109.279 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.513 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.1 Cg_endo -74.99 160.77 39.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 53.12 110.975 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 36.0 ttp -52.57 148.23 7.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.23 111.015 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.99 -4.7 69.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 74.52 111.005 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.8 m -88.79 114.32 25.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 75.24 110.42 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.903 ' OG1' HG21 ' A' ' 27' ' ' VAL . 51.8 m -49.71 144.3 6.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.25 110.387 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.68 HD23 HG12 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -85.37 132.57 34.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 63.1 109.337 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.713 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.6 mmt -121.16 152.3 56.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 73.21 110.987 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.0 Cg_endo -75.03 -9.74 20.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.558 1.82 . . . . 64.15 110.963 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.58 8.11 37.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 74.24 109.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.48 ' HE2' ' HB2' ' A' ' 59' ' ' MET . 20.0 mtm -120.96 11.85 11.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 64.02 111.018 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.683 HG11 ' CD1' ' A' ' 40' ' ' LEU . 92.3 t -122.5 138.63 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 74.01 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.499 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -90.27 149.26 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 73.21 109.294 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.94 18.07 24.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 72.02 111.015 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 72.9 t80 -81.6 174.6 11.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 62.04 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.545 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 174.13 158.22 0.32 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 71.25 109.338 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.554 1.818 . . . . 64.33 110.979 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.33 -0.248 . . . . 64.1 110.33 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -89.35 113.74 25.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 75.12 110.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.485 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.7 m -102.92 152.13 21.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 74.3 109.98 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.602 HG12 ' HB2' ' A' ' 55' ' ' LEU . 73.8 t -59.96 139.78 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 70.5 109.324 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 23' ' ' THR . 62.1 t -137.8 130.04 40.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 64.21 109.34 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.98 106.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 70.24 109.275 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.36 -26.62 68.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 65.33 109.315 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.479 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 5.7 pt20 -156.56 -178.9 7.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 62.42 110.337 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 50' ' ' PRO . 15.3 tp -57.88 119.61 7.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 54.43 109.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -118.89 105.18 45.68 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 72.44 109.263 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.861 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.06 165.23 31.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 71.21 111.005 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.5 tt -68.72 138.38 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 70.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 70.84 32.31 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 65.34 109.296 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.861 HG21 ' HD2' ' A' ' 12' ' ' PRO . 29.4 m -107.79 112.3 24.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 74.05 110.384 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.31 110.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 54.14 109.303 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.58 HD21 ' CG1' ' A' ' 45' ' ' VAL . 77.2 mt -56.24 147.23 21.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 64.33 109.316 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 p -141.98 164.29 30.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 74.44 110.406 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.529 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.5 tp -67.46 -15.36 63.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 51.52 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -96.63 0.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 72.44 109.291 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.407 ' O ' HD11 ' A' ' 11' ' ' ILE . 13.5 mtm -125.56 8.63 7.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 54.53 110.991 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 75.6 mtm -139.55 156.11 47.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 75.53 111.032 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 6' ' ' VAL . 10.2 t -161.95 -165.31 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 72.33 110.369 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.426 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.5 p -128.12 151.57 49.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 64.51 110.422 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -179.5 135.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 72.31 110.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 t -70.66 93.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 64.13 109.327 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.822 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.4 m -114.14 164.56 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 62.42 109.29 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.437 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 4.1 t -138.65 130.95 15.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 61.11 109.994 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.03 162.81 92.09 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.006 -2.497 . . . . 70.1 111.006 0.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -74.92 152.51 38.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 65.33 110.4 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.38 -142.64 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 54.44 111.007 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.742 HD11 ' O ' ' A' ' 56' ' ' MET . 35.9 mt -46.36 141.39 4.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 71.34 109.284 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.97 144.8 30.78 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 71.11 111.006 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.83 -18.47 55.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 60.23 109.334 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.11 -2.63 28.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 73.22 110.323 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.53 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.4 m-20 -108.53 4.79 24.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 73.33 109.334 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.551 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -50.0 -49.07 76.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 64.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.01 -9.8 20.92 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 63.24 111.04 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 14.7 mtm180 -88.27 -37.83 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 72.13 110.299 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.692 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -73.3 -25.83 60.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 73.24 109.261 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.529 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.2 mm -56.71 130.77 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 71.14 109.276 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.2 m 86.78 -14.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.45 109.966 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -98.57 126.49 44.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 64.33 110.972 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.403 ' HA ' ' O ' ' A' ' 15' ' ' THR . 4.3 mt-30 -77.46 -179.88 6.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 74.22 110.252 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.58 ' CG1' HD21 ' A' ' 17' ' ' LEU . 13.6 m -111.12 153.53 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.43 109.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.654 HD22 ' HA ' ' A' ' 59' ' ' MET . 0.7 OUTLIER -103.04 31.23 4.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 54.31 109.264 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.713 ' O ' HG23 ' A' ' 49' ' ' VAL . 41.4 tt0 177.17 148.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 75.2 110.332 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.406 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -63.19 104.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 63.55 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 47' ' ' GLN . 22.0 t -107.4 102.77 45.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 75.52 109.359 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.503 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.0 173.74 14.0 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 64.13 110.982 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 35.0 ttm -68.67 146.18 53.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 61.23 111.03 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 83.39 -10.31 59.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.488 1.117 . . . . 73.31 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -84.74 116.98 23.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 0.744 . . . . 75.1 110.411 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.822 ' OG1' HG21 ' A' ' 27' ' ' VAL . 98.2 m -49.5 144.37 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 74.42 110.407 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.602 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -89.27 125.68 35.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 74.23 109.299 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.742 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.4 mmt -110.71 153.6 43.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 63.24 110.974 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.607 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.99 -8.36 20.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 70.1 110.999 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.44 0.29 33.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 73.53 109.276 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.654 ' HA ' HD22 ' A' ' 46' ' ' ASN . 38.3 mtm -112.04 16.52 20.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 65.43 111.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.692 HG11 ' CD1' ' A' ' 40' ' ' LEU . 97.2 t -126.47 131.45 71.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 73.14 109.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.489 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.2 mtpp -86.26 140.71 29.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 73.41 109.282 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.27 17.26 70.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 72.41 111.014 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 70.7 t80 -84.74 174.81 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 74.12 111.012 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 169.62 159.29 0.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 51.45 109.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.481 1.78 . . . . 73.52 111.012 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.303 -0.258 . . . . 74.32 110.303 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -89.86 120.26 30.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.23 110.293 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 6' ' ' VAL . 12.9 m -103.82 149.81 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 75.21 109.944 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.545 HG11 HD22 ' A' ' 55' ' ' LEU . 70.6 t -59.57 137.36 22.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 73.23 109.312 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.75 ' O ' HG22 ' A' ' 23' ' ' THR . 47.6 t -134.59 126.6 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 73.03 109.313 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.679 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -47.76 107.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 64.14 109.303 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.51 -25.28 68.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 72.44 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.404 ' NE2' ' HG2' ' A' ' 21' ' ' MET . 4.1 pt20 -156.04 175.92 13.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 54.42 110.27 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 tp -57.55 113.16 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 72.52 109.26 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.76 HD11 ' O ' ' A' ' 21' ' ' MET . 8.8 mt -113.03 107.92 53.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 63.43 109.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.842 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.01 170.91 19.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 74.44 110.957 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.911 HD12 ' HA ' ' A' ' 47' ' ' GLN . 8.2 tt -72.36 138.12 22.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 74.55 109.294 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 70.0 35.13 2.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 73.21 109.291 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.842 HG21 ' HD2' ' A' ' 12' ' ' PRO . 41.5 m -108.8 114.16 27.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 74.22 110.423 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 18' ' ' THR . . . -54.8 109.35 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 52.15 109.269 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.438 HD21 HG13 ' A' ' 45' ' ' VAL . 78.5 mt -57.01 149.1 19.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 62.41 109.288 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 16' ' ' ALA . 22.2 p -143.59 162.15 36.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 75.22 110.369 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.6 tp -66.51 -11.16 51.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 71.24 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 m -101.33 0.87 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 63.41 109.334 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.76 ' O ' HD11 ' A' ' 11' ' ' ILE . 37.2 mtm -125.52 10.58 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 65.12 110.974 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.5 mtm -139.16 157.79 45.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 75.35 110.993 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.75 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.1 t -161.82 -169.28 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 73.41 110.396 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.42 ' N ' ' OG1' ' A' ' 23' ' ' THR . 23.8 p -125.76 152.41 45.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 74.31 110.404 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.784 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.0 OUTLIER 174.98 108.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 74.31 110.319 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 26' ' ' VAL . 1.5 p -54.3 103.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 55.44 109.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.829 HG21 ' OG1' ' A' ' 54' ' ' THR . 25.2 m -119.76 169.58 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 73.42 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.454 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.3 t -133.6 128.31 19.97 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.145 . . . . 64.13 110.043 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -75.0 162.27 93.18 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.063 -2.474 . . . . 74.24 111.027 0.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p -80.18 148.2 30.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 45.52 110.405 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.417 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -124.83 -145.85 6.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 72.03 110.991 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.66 HD11 ' O ' ' A' ' 56' ' ' MET . 69.2 mt -43.22 138.78 2.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 75.14 109.302 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.99 145.41 31.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 74.02 110.965 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.53 -16.4 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 63.42 109.333 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 -0.52 22.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 74.41 110.291 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.537 ' O ' HD23 ' A' ' 40' ' ' LEU . 14.6 m-20 -109.57 4.39 22.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 72.4 109.29 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.94 -50.05 80.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 71.22 109.294 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.98 -1.62 11.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.509 1.794 . . . . 73.05 111.008 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 69.0 mtp180 -97.45 -41.4 8.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 73.34 110.283 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.798 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -68.25 -27.88 66.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 61.12 109.315 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' A' ' 42' ' ' SER . 1.4 mm -53.99 130.33 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 74.04 109.344 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.4 t 88.76 -22.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 71.44 109.974 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -92.98 133.02 36.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 72.11 110.975 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 4.1 mt-30 -85.1 178.78 7.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 75.01 110.301 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.507 HG21 HG22 ' A' ' 11' ' ' ILE . 3.5 m -107.34 152.33 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 73.1 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.506 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 16.3 p30 -101.98 26.02 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 71.35 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.911 ' HA ' HD12 ' A' ' 13' ' ' ILE . 40.8 tt0 -176.68 148.68 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 65.12 110.292 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.409 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.9 t -65.09 103.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 64.01 109.329 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 47' ' ' GLN . 6.2 t -106.95 103.5 47.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 73.14 109.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 161.86 38.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 74.42 111.016 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttp -58.76 144.61 43.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 75.21 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.82 -10.56 62.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 61.24 110.976 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.3 m -85.56 116.87 24.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 72.43 110.357 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.829 ' OG1' HG21 ' A' ' 27' ' ' VAL . 46.3 m -49.78 143.15 7.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 53.43 110.411 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.545 HD22 HG11 ' A' ' 5' ' ' VAL . 9.0 tp -91.81 132.83 36.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 72.21 109.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.66 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.6 mmt -116.41 158.43 43.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 70.1 110.996 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.595 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.97 -9.64 20.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.809 . . . . 74.41 110.982 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -104.09 10.91 35.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 63.24 109.305 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.5 mtm -121.12 13.16 11.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 71.24 111.001 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.798 HG11 ' CD1' ' A' ' 40' ' ' LEU . 99.4 t -126.3 134.16 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 71.22 109.293 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.506 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -87.91 140.44 29.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 72.52 109.323 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.22 18.56 71.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 51.34 110.984 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.689 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 59.0 t80 -87.34 174.07 8.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 73.52 111.002 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 162.31 157.51 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 63.35 109.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.519 1.8 . . . . 73.23 111.006 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.286 -0.264 . . . . 74.45 110.286 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -82.43 123.16 28.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 52.22 110.302 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.494 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -110.05 149.71 29.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 74.33 110.012 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.781 ' CG1' HD12 ' A' ' 55' ' ' LEU . 95.3 t -61.51 137.6 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 61.13 109.282 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.607 ' O ' HG22 ' A' ' 23' ' ' THR . 33.8 t -135.1 122.2 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 62.43 109.26 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -46.48 106.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 63.33 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.69 68.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 62.22 109.298 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.471 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 3.1 pt20 -153.79 175.8 12.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 73.3 110.35 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 50' ' ' PRO . 10.8 tp -60.18 105.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 74.03 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.883 HD11 ' O ' ' A' ' 21' ' ' MET . 12.9 mt -103.14 107.97 57.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 62.02 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.879 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.04 167.96 25.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.799 . . . . 73.24 111.04 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.9 tt -70.84 141.2 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 65.41 109.304 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 69.55 27.68 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 73.41 109.296 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.879 HG21 ' HD2' ' A' ' 12' ' ' PRO . 27.2 m -103.89 111.85 24.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 55.21 110.386 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 18' ' ' THR . . . -53.75 109.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 71.31 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.466 HD13 ' HB3' ' A' ' 40' ' ' LEU . 70.1 mt -54.48 149.56 10.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 54.43 109.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 16' ' ' ALA . 22.2 p -143.4 161.89 37.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 74.24 110.398 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.4 tp -66.44 -11.43 51.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 73.23 109.255 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 m -100.94 1.02 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 31.45 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.883 ' O ' HD11 ' A' ' 11' ' ' ILE . 32.0 mtm -125.6 9.9 7.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 63.3 111.023 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -141.38 156.92 45.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 62.34 110.999 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 6' ' ' VAL . 14.6 t -161.71 -158.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 63.22 110.392 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.6 p -138.24 150.05 46.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 74.11 110.36 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.437 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.5 tmt_? -179.78 136.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 75.01 110.337 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 26' ' ' VAL . 3.0 t -67.32 97.66 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 55.2 109.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.788 HG21 ' OG1' ' A' ' 54' ' ' THR . 10.0 m -119.59 163.86 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 70.55 109.245 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.431 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.27 130.86 16.21 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 71.54 109.99 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.6 Cg_endo -74.92 163.04 91.59 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.025 -2.489 . . . . 74.02 111.026 -0.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 p -82.09 145.9 29.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 63.44 110.397 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.599 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -122.77 -142.83 6.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.143 . . . . 65.3 111.006 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.671 HG21 HD21 ' A' ' 40' ' ' LEU . 65.0 mt -43.98 139.22 3.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 75.4 109.294 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.04 145.88 31.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 64.44 110.959 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.1 -20.48 58.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 63.11 109.285 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.49 -5.59 29.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 54.22 110.32 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.563 ' O ' HD23 ' A' ' 40' ' ' LEU . 15.9 m-20 -105.57 6.39 32.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 62.14 109.265 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.53 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -51.9 -50.75 76.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 63.14 109.326 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.05 -1.78 11.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 65.5 110.927 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 16.2 mtm180 -97.38 -37.66 9.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 44.23 110.276 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.697 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -72.11 -26.14 62.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 65.41 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.559 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.02 130.98 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 74.42 109.249 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.4 t 86.2 -13.99 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 74.24 109.999 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.8 mtm -100.22 128.4 46.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 74.14 110.999 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.5 mt-30 -80.62 179.55 7.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 71.44 110.296 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.511 HG21 HG22 ' A' ' 11' ' ' ILE . 3.6 m -111.6 144.75 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 74.22 109.33 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -93.22 33.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 74.45 109.318 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.6 ' O ' HG23 ' A' ' 49' ' ' VAL . 41.2 tt0 175.93 149.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.52 110.294 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.413 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -67.7 105.88 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 72.53 109.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 47' ' ' GLN . 5.1 t -105.15 105.37 51.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 54.42 109.279 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.509 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.0 156.79 43.0 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.8 . . . . 73.55 111.007 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 30.0 ttm -56.15 143.72 32.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 64.02 110.985 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 86.52 -12.55 60.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.092 . . . . 54.53 110.973 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.7 m -85.81 115.57 23.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 74.41 110.408 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.788 ' OG1' HG21 ' A' ' 27' ' ' VAL . 32.7 m -49.64 143.54 7.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 74.24 110.434 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.781 HD12 ' CG1' ' A' ' 5' ' ' VAL . 4.8 mt -90.55 132.86 35.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 73.02 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.666 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.2 mmt -115.31 158.19 41.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 75.13 111.05 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.598 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.01 -9.16 20.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 73.51 110.991 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -102.46 8.7 39.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 73.53 109.282 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 42.4 mtm -120.64 13.37 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 62.43 111.005 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.697 HG11 ' CD1' ' A' ' 40' ' ' LEU . 88.8 t -126.19 133.75 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 64.5 109.288 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.22 150.52 24.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 73.02 109.307 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.74 15.64 20.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 75.14 111.014 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 67.9 t80 -80.98 174.95 11.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 71.24 110.947 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.579 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 173.65 159.19 0.3 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 64.13 109.303 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.549 1.815 . . . . 61.44 111.019 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.257 -0.275 . . . . 74.44 110.257 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.37 114.9 25.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.33 110.316 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.471 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.3 m -102.01 151.13 22.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 74.33 109.991 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.673 HG12 HD23 ' A' ' 55' ' ' LEU . 85.1 t -59.27 142.19 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 64.3 109.269 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.732 ' O ' HG22 ' A' ' 23' ' ' THR . 56.8 t -138.39 125.41 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 70.02 109.292 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.405 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -47.24 105.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 41.41 109.34 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.13 -25.7 68.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 71.24 109.29 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.431 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 2.9 pt20 -156.45 178.36 10.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 72.25 110.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.53 113.45 2.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 55.52 109.304 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.943 HD11 ' O ' ' A' ' 21' ' ' MET . 17.3 mt -113.9 108.55 50.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.163 . . . . 75.53 109.342 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.894 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.97 171.06 19.06 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.45 1.763 . . . . 63.21 111.004 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.95 HD12 ' HA ' ' A' ' 47' ' ' GLN . 5.5 tt -72.25 146.12 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 75.11 109.349 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 62.94 29.19 16.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 73.31 109.276 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.894 HG21 ' HD2' ' A' ' 12' ' ' PRO . 32.1 m -104.5 112.66 25.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 73.24 110.404 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 18' ' ' THR . . . -52.7 110.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 73.12 109.33 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.539 HD21 ' CG1' ' A' ' 45' ' ' VAL . 74.1 mt -57.0 148.67 20.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 75.25 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 16' ' ' ALA . 37.4 p -142.67 161.2 38.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 72.11 110.391 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.9 tp -65.09 -18.45 65.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 62.43 109.307 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.9 m -93.1 1.15 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 42.31 109.292 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.943 ' O ' HD11 ' A' ' 11' ' ' ILE . 14.2 mtm -125.52 6.6 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.3 111.043 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.8 mtm -136.38 154.12 50.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 73.02 111.019 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 6' ' ' VAL . 8.8 t -159.59 -174.03 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 71.04 110.358 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -121.06 150.13 41.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 75.31 110.395 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.32 133.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 73.13 110.312 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.22 87.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 74.24 109.241 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.843 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.6 m -106.67 164.99 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 72.44 109.279 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.439 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.8 t -137.82 130.54 16.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 73.03 109.966 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.439 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.02 163.1 91.5 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.992 -2.503 . . . . 74.42 111.001 0.05 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 p -77.02 148.37 36.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 71.42 110.365 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.468 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.5 -145.24 6.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 53.43 111.015 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.714 HD11 ' O ' ' A' ' 56' ' ' MET . 59.9 mt -42.86 139.14 2.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 75.21 109.316 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -74.97 146.38 32.69 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 73.31 110.959 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.29 -20.15 57.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 64.21 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -4.17 27.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 74.23 110.284 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.534 ' O ' HD23 ' A' ' 40' ' ' LEU . 11.3 m-20 -107.7 4.39 25.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 71.31 109.279 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.552 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.28 -49.53 84.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 73.21 109.326 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.0 -2.07 12.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 64.34 110.975 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 18.0 mtm180 -97.22 -40.55 8.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 64.43 110.293 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.701 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -69.39 -26.26 64.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 73.11 109.313 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.553 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.17 131.45 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 73.45 109.319 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER 86.8 -14.31 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 73.53 110.043 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -100.3 128.59 46.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 51.42 111.03 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.3 mt-30 -79.28 179.04 7.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 65.54 110.248 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.539 ' CG1' HD21 ' A' ' 17' ' ' LEU . 6.7 m -111.7 144.74 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 72.44 109.369 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.411 ' CB ' ' HD3' ' A' ' 61' ' ' LYS . 18.8 p30 -92.69 28.69 1.96 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 74.21 109.275 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.95 ' HA ' HD12 ' A' ' 13' ' ' ILE . 41.0 tt0 -178.98 148.68 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 73.53 110.273 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.408 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -67.31 106.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.31 109.259 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 47' ' ' GLN . 12.6 t -108.56 101.76 44.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 62.43 109.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 53' ' ' THR . 18.2 Cg_endo -75.01 158.8 41.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 74.41 110.985 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.431 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 15.6 ttp -50.1 145.33 5.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 73.05 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.85 -8.73 61.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 74.05 110.991 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.478 ' HB ' HG12 ' A' ' 49' ' ' VAL . 38.8 m -83.65 112.13 19.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 73.41 110.347 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.843 ' OG1' HG21 ' A' ' 27' ' ' VAL . 99.3 m -49.76 144.52 6.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 74.24 110.364 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.673 HD23 HG12 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -85.7 132.38 34.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 71.24 109.329 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.714 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.3 mmt -120.58 153.23 56.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 53.31 111.038 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.98 -8.03 19.72 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.767 . . . . 63.23 111.023 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.66 9.12 35.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 73.24 109.3 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.529 ' HE2' ' H ' ' A' ' 56' ' ' MET . 30.6 mtm -120.92 11.91 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 71.34 111.0 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.701 HG11 ' CD1' ' A' ' 40' ' ' LEU . 99.3 t -124.96 134.23 67.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 61.13 109.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.411 ' HD3' ' CB ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -86.61 149.46 24.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 65.21 109.278 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.83 16.15 22.93 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.521 1.138 . . . . 52.25 110.994 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 71.0 t80 -78.79 174.58 11.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 70.23 110.975 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.547 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 176.03 158.34 0.42 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 73.23 109.335 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.538 1.809 . . . . 72.11 110.987 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.298 -0.26 . . . . 73.53 110.298 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -101.67 112.52 25.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 72.4 110.269 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.9 m -101.26 152.37 20.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 72.04 109.998 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.535 HG11 ' CD2' ' A' ' 55' ' ' LEU . 79.1 t -61.89 135.51 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 74.32 109.333 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.704 ' O ' HG22 ' A' ' 23' ' ' THR . 52.6 t -131.76 126.03 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 62.13 109.309 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.07 105.4 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 64.21 109.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.25 -26.7 68.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 71.15 109.329 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.486 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 4.3 pt20 -156.5 172.44 18.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 65.25 110.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 50' ' ' PRO . 15.0 tp -50.61 131.58 25.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 70.42 109.243 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.706 HD11 ' O ' ' A' ' 21' ' ' MET . 19.7 mt -135.82 103.57 10.0 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 51.42 109.256 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.715 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.6 Cg_endo -74.93 173.3 14.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 60.24 111.016 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.894 HD12 ' HA ' ' A' ' 47' ' ' GLN . 3.7 tt -69.22 134.92 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 74.41 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 5.7 m-20 74.75 31.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 74.44 109.337 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.715 HG21 ' HD2' ' A' ' 12' ' ' PRO . 19.1 m -102.33 109.58 21.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 74.22 110.452 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 18' ' ' THR . . . -54.36 108.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 51.32 109.265 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.462 HD13 ' HB3' ' A' ' 40' ' ' LEU . 62.8 mt -56.2 147.34 20.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 72.23 109.312 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 16' ' ' ALA . 18.7 p -143.47 162.12 36.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 72.13 110.401 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.543 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.8 tp -66.31 -11.11 48.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 71.43 109.275 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -100.72 -0.55 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 75.31 109.297 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.706 ' O ' HD11 ' A' ' 11' ' ' ILE . 28.0 mtm -124.8 9.15 8.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 70.53 111.003 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.41 ' CE ' HG12 ' A' ' 41' ' ' ILE . 77.1 mtm -137.71 155.49 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 74.45 111.004 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.8 t -161.24 -170.84 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 63.12 110.426 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.437 ' N ' ' OG1' ' A' ' 23' ' ' THR . 18.7 p -125.92 148.44 49.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 71.42 110.382 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -177.32 135.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 73.13 110.275 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.03 93.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 74.22 109.272 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.821 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.4 m -113.73 164.79 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 61.14 109.343 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.438 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.2 t -138.03 130.77 16.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 74.22 110.018 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.438 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -75.0 162.89 91.96 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.969 -2.513 . . . . 75.51 111.069 -0.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -79.01 150.4 31.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 73.11 110.416 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.547 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -127.56 -144.54 5.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 70.03 111.03 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.687 HD11 ' O ' ' A' ' 56' ' ' MET . 68.4 mt -43.06 139.74 2.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 74.02 109.258 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.96 145.69 31.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 53.4 111.056 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.38 -20.62 60.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 73.24 109.299 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.03 -5.22 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 74.32 110.309 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.542 ' O ' HD23 ' A' ' 40' ' ' LEU . 12.6 m-20 -105.91 5.77 30.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 75.22 109.272 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.552 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.3 -49.68 83.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 73.22 109.276 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.94 -2.23 12.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 72.34 111.011 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.432 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 17.8 mtm180 -97.22 -39.15 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 71.21 110.317 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.758 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -70.79 -26.02 63.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 54.5 109.285 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.22 130.96 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 51.25 109.319 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER 86.68 -14.26 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 64.01 110.004 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -100.04 130.73 46.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 64.31 111.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.409 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.7 mt-30 -83.82 178.17 8.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.23 110.256 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.556 HG21 HG22 ' A' ' 11' ' ' ILE . 8.1 m -108.78 146.39 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 72.34 109.322 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.438 ' CB ' ' HD3' ' A' ' 61' ' ' LYS . 17.1 p30 -94.06 27.1 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 74.44 109.309 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.894 ' HA ' HD12 ' A' ' 13' ' ' ILE . 41.5 tt0 -176.58 149.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 74.21 110.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 12' ' ' PRO . 3.1 t -67.13 102.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 71.54 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 47' ' ' GLN . 3.0 t -104.0 106.15 51.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 62.14 109.287 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.522 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.03 162.27 37.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 63.21 111.007 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.486 ' HE2' ' HA ' ' A' ' 9' ' ' GLN . 30.5 ttm -61.19 143.1 56.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 71.11 111.044 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.404 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 86.17 -10.4 66.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 71.21 111.016 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.7 m -85.89 116.77 24.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 74.1 110.413 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.821 ' OG1' HG21 ' A' ' 27' ' ' VAL . 62.0 m -49.52 143.12 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 71.34 110.387 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.535 ' CD2' HG11 ' A' ' 5' ' ' VAL . 9.9 tp -90.9 133.05 35.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 72.43 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.699 ' H ' ' HE2' ' A' ' 59' ' ' MET . 5.8 mmt -116.46 158.11 44.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.22 110.974 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.607 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.04 -8.37 19.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.494 1.786 . . . . 73.02 111.012 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -102.9 8.24 39.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 72.14 109.328 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.699 ' HE2' ' H ' ' A' ' 56' ' ' MET . 43.9 mtm -120.61 15.48 11.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 62.11 110.97 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.758 HG11 ' CD1' ' A' ' 40' ' ' LEU . 88.9 t -128.14 133.16 67.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 60.42 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.438 ' HD3' ' CB ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -85.98 149.29 25.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 71.21 109.275 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.83 16.04 29.77 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.472 1.108 . . . . 73.12 110.997 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 68.6 t80 -81.05 174.95 11.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 65.24 110.967 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.572 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 173.79 159.06 0.31 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 75.14 109.305 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 61.43 110.985 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.304 -0.258 . . . . 64.04 110.304 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -90.64 118.15 29.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 53.4 110.317 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.8 m -102.98 154.04 19.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 72.23 109.984 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.855 ' CG1' HD12 ' A' ' 55' ' ' LEU . 81.7 t -63.14 135.42 27.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 64.22 109.316 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.673 ' O ' HG22 ' A' ' 23' ' ' THR . 47.5 t -130.43 125.85 60.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 54.22 109.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.84 106.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 73.44 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.98 -25.11 67.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 73.21 109.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.416 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 4.6 pt20 -156.92 178.1 10.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 75.25 110.299 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 50' ' ' PRO . 7.1 tp -58.37 122.87 14.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 71.42 109.29 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.494 HG23 ' HE3' ' A' ' 21' ' ' MET . 0.9 OUTLIER -122.17 105.24 37.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 75.4 109.305 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.794 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.01 169.12 23.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.783 . . . . 65.3 110.996 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 47' ' ' GLN . 8.2 tt -66.6 138.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 71.55 109.264 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 67.03 40.26 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 52.54 109.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.794 HG21 ' HD2' ' A' ' 12' ' ' PRO . 20.0 m -109.69 113.62 26.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 64.11 110.37 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.423 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -55.68 111.35 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 22.22 109.292 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.686 HD13 ' HB3' ' A' ' 40' ' ' LEU . 82.2 mt -57.54 147.02 28.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 72.5 109.346 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -142.6 160.68 39.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 73.15 110.404 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.538 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.3 tp -66.54 -11.91 55.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 75.03 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.06 1.8 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 73.31 109.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.494 ' HE3' HG23 ' A' ' 11' ' ' ILE . 17.0 mtm -125.32 9.24 7.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 70.32 110.976 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.5 mtm -139.94 154.87 47.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 53.05 110.983 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 6' ' ' VAL . 10.1 t -160.72 -172.13 3.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 74.52 110.393 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.418 ' N ' ' OG1' ' A' ' 23' ' ' THR . 19.7 p -123.65 149.44 45.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 71.32 110.371 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 179.67 135.5 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 74.33 110.287 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 t -67.83 106.35 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 60.32 109.271 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.838 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.1 m -128.01 165.26 27.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 74.03 109.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.481 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.9 t -139.06 130.82 15.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 53.51 109.989 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 162.77 92.18 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.013 -2.495 . . . . 71.2 110.989 -0.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p -79.67 150.29 30.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 75.1 110.456 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.55 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.27 -145.9 6.47 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 73.12 110.978 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.769 HG21 HD21 ' A' ' 40' ' ' LEU . 26.4 mt -44.6 140.11 3.31 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.557 0.798 . . . . 72.35 109.279 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.637 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.97 147.4 33.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.45 1.763 . . . . 74.11 111.044 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.15 -19.66 54.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 74.23 109.297 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.41 -4.61 27.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 72.31 110.275 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.537 ' O ' HD23 ' A' ' 40' ' ' LEU . 11.2 m-20 -107.5 5.52 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 70.24 109.335 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.96 -49.28 88.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 74.44 109.31 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -1.56 11.38 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 63.32 111.012 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.432 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 18.1 mtm180 -97.53 -43.41 7.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 74.02 110.281 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.769 HD21 HG21 ' A' ' 32' ' ' ILE . 3.9 mm? -65.37 -32.14 73.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 72.15 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 42' ' ' SER . 1.5 mm -46.63 128.99 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 74.24 109.323 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.8 m 90.11 -35.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 61.24 109.943 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.445 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 3.5 mmm -74.72 132.4 41.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 44.32 110.997 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 8.5 mt-30 -87.86 164.31 15.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 64.23 110.31 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.433 ' CG1' HD21 ' A' ' 17' ' ' LEU . 17.0 m -94.58 141.38 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 74.3 109.332 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 21.6 p30 -92.42 32.03 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 61.13 109.289 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 49' ' ' VAL . 42.2 tt0 178.29 149.21 0.2 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 64.14 110.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -64.52 102.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 60.42 109.328 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 47' ' ' GLN . 53.6 t -106.9 103.45 47.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 73.1 109.305 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.95 169.82 21.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 70.41 111.036 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.9 ttp -65.77 149.94 49.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 71.01 111.013 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.21 -4.55 62.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 72.24 111.027 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.8 m -93.09 115.59 28.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 74.42 110.399 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.838 ' OG1' HG21 ' A' ' 27' ' ' VAL . 61.6 m -49.58 144.18 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 60.35 110.359 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.855 HD12 ' CG1' ' A' ' 5' ' ' VAL . 5.1 mt -91.08 135.58 33.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 73.35 109.275 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.711 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.9 mmt -119.58 157.39 51.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 73.52 110.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -9.4 20.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 73.23 111.048 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.15 12.94 35.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 51.55 109.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.9 mtm -120.88 4.51 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 75.44 110.977 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.653 HG21 ' CD1' ' A' ' 40' ' ' LEU . 42.5 t -114.66 143.24 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 53.33 109.25 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -88.94 146.25 25.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 65.12 109.289 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.0 28.44 17.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 72.22 111.013 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 50.6 t80 -88.34 174.31 8.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 73.22 110.992 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.65 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.48 161.87 0.35 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 71.41 109.263 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.429 ' HD2' ' HB1' ' A' ' 64' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 72.31 110.966 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.269 -0.271 . . . . 71.44 110.269 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -72.54 112.37 8.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 73.02 110.29 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -100.11 147.11 26.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 60.11 109.997 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.602 HG12 ' HB2' ' A' ' 55' ' ' LEU . 77.1 t -59.22 139.46 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 75.41 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.616 ' O ' HG22 ' A' ' 23' ' ' THR . 42.4 t -138.81 124.35 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 75.31 109.32 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -44.1 106.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 60.54 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.11 -26.37 68.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 64.4 109.307 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.484 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 2.8 pt20 -157.17 174.68 15.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 63.43 110.335 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 50' ' ' PRO . 9.3 tp -55.12 119.61 5.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 75.34 109.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.892 HD11 ' O ' ' A' ' 21' ' ' MET . 16.2 mt -121.57 109.57 34.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 62.53 109.251 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.851 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.03 172.19 16.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 63.14 111.009 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.9 tt -73.63 139.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 72.12 109.312 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 70.01 32.68 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 72.44 109.308 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.851 HG21 ' HD2' ' A' ' 12' ' ' PRO . 31.4 m -107.23 111.92 24.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 73.03 110.393 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.414 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.71 108.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 70.4 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.462 HD13 ' HB3' ' A' ' 40' ' ' LEU . 60.5 mt -54.0 149.61 8.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 62.44 109.315 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 p -143.55 161.44 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 73.01 110.427 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 13.0 tp -66.08 -14.47 61.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 62.53 109.325 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -97.91 2.28 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 55.51 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.892 ' O ' HD11 ' A' ' 11' ' ' ILE . 13.8 mtm -125.64 4.01 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 63.03 110.976 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -136.42 157.51 46.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 71.32 110.989 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 6' ' ' VAL . 14.3 t -162.03 -159.65 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 73.32 110.392 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.0 p -133.41 153.81 51.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 54.34 110.397 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.9 tmt_? 177.33 129.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 75.31 110.304 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.98 100.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 64.13 109.294 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.79 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.9 m -120.43 165.71 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 60.35 109.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.435 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.26 130.18 15.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 75.41 110.015 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.435 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.95 164.31 88.66 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.02 -2.492 . . . . 65.24 110.965 -0.003 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 p -80.39 147.27 31.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 73.33 110.378 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -122.94 -140.49 5.71 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.455 1.097 . . . . 73.44 110.974 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.696 HD11 ' O ' ' A' ' 56' ' ' MET . 65.9 mt -47.43 139.54 7.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.583 0.814 . . . . 71.2 109.31 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.593 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.02 144.65 30.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.456 1.767 . . . . 75.41 110.984 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.91 -20.55 57.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 42.51 109.257 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.26 -4.78 27.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 43.22 110.304 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.544 ' O ' HD23 ' A' ' 40' ' ' LEU . 13.8 m-20 -106.1 5.8 30.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 65.12 109.334 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.538 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.99 -50.3 79.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 71.42 109.338 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.02 -1.95 11.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.548 1.815 . . . . 62.15 110.982 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.437 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 16.4 mtm180 -97.24 -39.02 9.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 72.23 110.313 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.69 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -70.32 -26.56 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 53.4 109.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -55.96 131.63 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 74.21 109.293 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.6 m 85.9 -14.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 54.02 110.003 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.8 mtm -99.03 127.24 44.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 74.33 111.0 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.414 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.5 mt-30 -79.7 -179.27 6.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 65.31 110.324 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.449 ' CG1' HD21 ' A' ' 17' ' ' LEU . 6.2 m -112.15 153.78 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 70.34 109.253 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 15.6 p30 -102.07 25.08 9.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 70.5 109.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.742 ' O ' HG23 ' A' ' 49' ' ' VAL . 40.5 tt0 -177.08 146.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 75.34 110.306 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 12' ' ' PRO . 2.5 t -61.76 106.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 71.03 109.279 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 47' ' ' GLN . 15.9 t -106.75 103.99 49.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 65.33 109.295 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.5 Cg_endo -74.99 165.93 30.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 74.45 111.014 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.484 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 34.5 ttm -63.77 145.47 55.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 72.32 110.969 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 83.57 -9.22 62.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 63.51 111.044 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.8 m -85.54 118.33 25.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 73.23 110.39 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.79 ' OG1' HG21 ' A' ' 27' ' ' VAL . 68.7 m -49.68 144.51 6.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 70.14 110.376 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.602 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -88.96 128.19 35.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 65.22 109.291 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.696 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.9 mmt -111.9 152.91 44.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 60.01 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.02 -12.37 21.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 72.32 111.004 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.31 11.37 36.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 74.15 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.613 ' HE2' ' H ' ' A' ' 56' ' ' MET . 23.1 mtm -119.01 8.95 11.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 70.2 111.046 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.69 HG11 ' CD1' ' A' ' 40' ' ' LEU . 97.1 t -122.78 135.32 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 71.33 109.303 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.487 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.8 mtpp -89.86 135.29 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 73.31 109.283 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.49 17.61 80.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.436 1.085 . . . . 73.14 110.975 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 65.6 t80 -88.36 174.64 8.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 0.729 . . . . 64.53 110.985 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.62 161.24 0.22 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 70.31 109.279 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 64' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 65.44 110.994 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.334 -0.247 . . . . 54.15 110.334 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.29 114.99 24.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 73.44 110.296 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.6 m -102.35 151.9 21.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 52.41 110.02 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.622 HG11 HD22 ' A' ' 55' ' ' LEU . 71.9 t -61.81 134.28 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 74.23 109.293 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.538 ' O ' HG22 ' A' ' 23' ' ' THR . 59.0 t -131.36 127.16 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 23.33 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.447 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -52.19 105.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 64.1 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.62 -25.62 68.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 72.41 109.312 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.435 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 3.3 pt20 -152.43 172.19 16.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 73.12 110.269 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 50' ' ' PRO . 8.2 tp -53.99 133.56 43.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 54.32 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.606 HD11 ' O ' ' A' ' 21' ' ' MET . 19.9 mt -135.77 106.66 9.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 72.33 109.273 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.723 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.05 173.01 15.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 53.53 110.978 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.859 HD12 ' HA ' ' A' ' 47' ' ' GLN . 4.3 tt -69.33 135.93 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 73.32 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.498 ' ND2' HG23 ' A' ' 13' ' ' ILE . 7.7 m-80 73.66 31.96 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 61.43 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.723 HG21 ' HD2' ' A' ' 12' ' ' PRO . 19.0 m -102.2 109.72 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 71.41 110.406 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -54.82 109.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 32.51 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.487 HD21 ' CG1' ' A' ' 45' ' ' VAL . 52.1 mt -55.6 148.27 16.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 74.11 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 p -143.65 162.15 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 55.32 110.41 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.4 tp -66.4 -11.9 54.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 55.11 109.304 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -100.15 0.63 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 70.22 109.297 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.606 ' O ' HD11 ' A' ' 11' ' ' ILE . 19.9 mtm -125.59 6.32 7.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 73.3 111.022 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.444 ' HE3' HG12 ' A' ' 41' ' ' ILE . 77.9 mtm -137.92 157.96 45.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 62.14 111.035 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 6' ' ' VAL . 15.2 t -161.65 -151.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 75.24 110.382 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.498 ' N ' HG23 ' A' ' 23' ' ' THR . 25.3 p -143.69 149.42 37.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 63.35 110.399 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -178.76 144.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 74.11 110.265 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -75.74 100.43 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 74.45 109.286 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.673 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.4 m -122.18 165.77 17.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 62.4 109.293 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.482 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -139.79 130.83 14.45 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 25.34 109.963 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.01 163.13 91.44 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.017 -2.493 . . . . 51.34 110.949 0.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 p -77.73 149.54 34.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 72.52 110.408 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.613 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -127.28 -147.06 6.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 62.41 110.98 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.879 HG21 HD21 ' A' ' 40' ' ' LEU . 30.1 mt -40.24 139.21 1.07 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 72.1 109.285 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.0 144.98 30.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.764 . . . . 62.03 110.995 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.61 -19.21 57.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 45.14 109.236 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.37 -2.52 25.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 72.41 110.304 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.529 ' O ' HD23 ' A' ' 40' ' ' LEU . 21.5 m-20 -109.46 7.75 24.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 55.31 109.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.539 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -49.63 -49.99 69.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 52.45 109.331 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.04 -9.49 20.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 75.01 110.969 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.426 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 10.0 mtm180 -88.12 -36.56 16.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 74.55 110.313 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.879 HD21 HG21 ' A' ' 32' ' ' ILE . 4.0 mm? -73.85 -27.05 60.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 71.24 109.329 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -55.95 131.76 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 63.52 109.27 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.2 m 86.62 -14.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 44.31 110.01 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -99.36 129.86 45.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 74.43 110.981 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.0 mt-30 -83.32 178.48 8.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 71.03 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.536 HG21 HG22 ' A' ' 11' ' ' ILE . 13.1 m -109.85 142.44 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 64.34 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.56 HD22 ' HA ' ' A' ' 59' ' ' MET . 0.8 OUTLIER -92.23 33.88 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 71.22 109.246 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.859 ' HA ' HD12 ' A' ' 13' ' ' ILE . 42.0 tt0 177.49 149.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 63.54 110.277 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.414 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -66.58 104.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 73.52 109.334 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 47' ' ' GLN . 3.2 t -107.85 102.45 45.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 63.53 109.303 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.626 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.2 Cg_endo -74.97 162.54 37.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 71.22 111.003 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.435 ' HE2' ' HA ' ' A' ' 9' ' ' GLN . 31.3 ttm -57.29 143.6 38.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 72.33 111.017 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.411 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 84.93 -4.63 84.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 64.25 111.037 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.2 m -91.1 116.34 28.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.763 . . . . 73.33 110.426 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.673 ' OG1' HG21 ' A' ' 27' ' ' VAL . 90.6 m -49.98 144.63 6.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 71.43 110.374 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.622 HD22 HG11 ' A' ' 5' ' ' VAL . 8.2 tp -91.59 133.43 35.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 62.11 109.352 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.809 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.3 mmt -119.64 158.08 50.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 72.14 110.96 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.59 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.97 -9.2 20.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.537 1.809 . . . . 71.32 110.97 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -103.66 10.08 36.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 75.51 109.28 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.56 ' HA ' HD22 ' A' ' 46' ' ' ASN . 35.7 mtm -119.64 8.81 11.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 52.22 111.007 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.625 HG21 HD12 ' A' ' 40' ' ' LEU . 52.4 t -124.07 132.07 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 63.21 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -84.96 149.4 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 74.21 109.315 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.96 12.22 35.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 73.44 110.931 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.608 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 61.8 t80 -79.96 174.61 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 0.735 . . . . 71.52 111.056 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.608 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.58 158.45 0.34 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 72.52 109.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 71.55 111.019 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.299 -0.26 . . . . 72.21 110.299 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.53 114.86 23.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 74.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.5 m -101.26 154.43 18.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 74.53 109.958 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.472 HG11 HD22 ' A' ' 55' ' ' LEU . 71.6 t -63.9 135.46 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 73.32 109.267 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.71 ' O ' HG22 ' A' ' 23' ' ' THR . 47.5 t -131.54 125.56 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 53.3 109.261 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.542 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -48.54 105.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 63.54 109.307 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.31 -26.46 68.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 74.42 109.291 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.477 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 4.7 pt20 -154.57 176.17 12.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 65.15 110.328 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 50' ' ' PRO . 9.3 tp -58.69 114.27 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 74.1 109.307 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.808 HD11 ' O ' ' A' ' 21' ' ' MET . 9.7 mt -113.81 108.1 51.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 75.34 109.293 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.876 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.1 Cg_endo -75.04 165.25 31.66 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 72.22 111.012 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.417 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.3 tt -68.72 139.98 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 73.53 109.354 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 70.5 28.96 3.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 75.22 109.289 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.876 HG21 ' HD2' ' A' ' 12' ' ' PRO . 28.6 m -105.36 112.39 25.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 75.05 110.357 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.1 109.12 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 71.11 109.263 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.454 HD13 ' HB3' ' A' ' 40' ' ' LEU . 64.3 mt -55.05 149.08 12.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 75.4 109.316 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 p -142.61 161.64 37.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 65.2 110.419 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.8 tp -66.15 -12.78 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 72.32 109.286 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.6 m -99.46 1.12 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 60.32 109.28 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.808 ' O ' HD11 ' A' ' 11' ' ' ILE . 16.9 mtm -125.67 10.83 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 75.44 111.028 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.1 mtm -140.74 157.43 45.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 75.4 110.979 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.71 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.2 t -161.97 -167.51 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 70.21 110.427 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.436 ' N ' ' OG1' ' A' ' 23' ' ' THR . 25.8 p -128.62 151.33 49.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 61.1 110.402 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 177.86 136.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 71.4 110.331 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -70.2 105.16 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 71.02 109.302 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.712 HG21 ' OG1' ' A' ' 54' ' ' THR . 13.5 m -126.56 166.49 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 74.11 109.274 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.476 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.6 t -139.36 130.64 14.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 74.42 110.01 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.97 162.71 92.31 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.011 -2.495 . . . . 40.45 110.982 -0.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -80.51 149.76 29.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 74.13 110.419 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.622 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -125.63 -145.41 6.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.117 . . . . 71.51 111.017 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.756 HG21 HD21 ' A' ' 40' ' ' LEU . 69.9 mt -44.17 139.86 3.04 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 55.32 109.301 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.62 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.04 147.36 33.66 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 64.43 111.006 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.02 -19.74 54.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 52.33 109.278 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.7 -4.51 27.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 63.44 110.281 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.526 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.0 m-20 -106.19 4.84 29.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 72.12 109.314 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.543 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.95 -49.96 80.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 73.51 109.337 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -1.44 11.23 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 63.45 111.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 67.8 mtp180 -97.54 -41.15 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 74.52 110.247 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.854 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -68.46 -26.44 65.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 74.35 109.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.14 130.4 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 74.51 109.311 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 87.23 -15.69 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 53.22 109.943 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 1.5 mtm -99.13 129.69 45.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 44.14 110.978 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.8 mt-30 -80.89 177.82 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 61.4 110.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.516 HG21 HG22 ' A' ' 11' ' ' ILE . 3.0 m -108.34 143.0 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 72.13 109.272 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.673 HD22 ' HA ' ' A' ' 59' ' ' MET . 0.7 OUTLIER -92.62 32.79 1.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 74.14 109.295 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.702 ' O ' HG23 ' A' ' 49' ' ' VAL . 41.0 tt0 175.75 148.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 75.34 110.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.412 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.9 t -64.2 106.95 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 45.13 109.287 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 47' ' ' GLN . 11.9 t -108.83 101.7 45.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 75.01 109.277 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.438 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -74.99 162.68 36.74 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 72.41 110.957 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.477 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 32.0 ttm -59.82 143.53 50.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 61.4 110.987 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.404 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 85.45 -9.97 65.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.566 1.166 . . . . 71.13 110.988 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.9 m -87.56 115.05 24.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 54.21 110.409 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.712 ' OG1' HG21 ' A' ' 27' ' ' VAL . 39.1 m -49.73 144.46 6.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 64.14 110.38 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.472 HD22 HG11 ' A' ' 5' ' ' VAL . 10.0 tp -91.76 135.84 33.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 74.25 109.29 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.723 ' O ' HD11 ' A' ' 32' ' ' ILE . 11.2 mmt -117.94 158.69 45.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 53.14 111.004 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.97 -8.6 20.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 74.5 111.007 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.91 1.65 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 65.22 109.336 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.673 ' HA ' HD22 ' A' ' 46' ' ' ASN . 34.3 mtm -111.26 9.67 21.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 71.14 110.965 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.854 HG11 ' CD1' ' A' ' 40' ' ' LEU . 86.6 t -124.29 134.5 66.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 42.14 109.299 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.428 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -88.16 150.03 23.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 73.43 109.284 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.43 14.3 33.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 64.01 111.026 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.691 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 53.2 t80 -83.73 173.6 11.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 73.41 111.011 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 162.25 159.28 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 55.25 109.269 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.47 1.774 . . . . 74.43 110.965 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.331 -0.248 . . . . 72.04 110.331 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -98.06 112.32 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 74.2 110.305 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.472 ' O ' HG23 ' A' ' 6' ' ' VAL . 13.2 m -100.9 149.66 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 61.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.578 HG12 ' HB2' ' A' ' 55' ' ' LEU . 60.3 t -59.2 140.19 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 74.01 109.274 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.707 ' O ' HG22 ' A' ' 23' ' ' THR . 57.4 t -136.55 128.48 44.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 75.42 109.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.3 105.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 73.34 109.288 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.22 -27.4 69.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 70.31 109.287 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.34 -174.59 4.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 73.15 110.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 6.8 tp -71.58 104.72 3.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 74.43 109.302 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.969 HD11 ' O ' ' A' ' 21' ' ' MET . 22.5 mt -101.6 109.98 60.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 52.23 109.253 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.885 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.04 170.68 19.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.459 1.768 . . . . 54.13 110.982 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 47' ' ' GLN . 6.7 tt -70.92 144.66 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 70.13 109.324 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 m120 60.96 36.11 18.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 72.03 109.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.885 HG21 ' HD2' ' A' ' 12' ' ' PRO . 48.2 m -110.89 110.88 21.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 64.44 110.382 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -50.5 111.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 54.14 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.437 HD21 ' CG1' ' A' ' 45' ' ' VAL . 61.4 mt -57.52 150.14 19.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 61.43 109.31 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 p -143.51 161.29 38.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 73.44 110.387 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.534 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 8.0 tp -65.38 -17.79 64.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 75.04 109.349 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.79 1.28 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 64.4 109.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.969 ' O ' HD11 ' A' ' 11' ' ' ILE . 43.9 mtm -125.51 5.9 7.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 71.21 111.042 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 67.4 mtm -135.17 157.27 47.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 74.25 110.967 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.707 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.8 t -161.72 -170.11 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 51.42 110.415 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.443 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.6 p -125.41 151.26 46.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 54.51 110.392 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.1 tmt_? 179.11 129.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 72.14 110.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -67.15 90.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 73.42 109.261 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.826 HG21 ' OG1' ' A' ' 54' ' ' THR . 13.6 m -108.61 165.44 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 75.24 109.325 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.436 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 6.3 t -137.32 130.49 17.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 62.03 110.006 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.94 162.8 92.09 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.04 -2.484 . . . . 75.13 110.997 -0.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -77.34 149.29 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 74.41 110.427 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.75 -143.6 5.88 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.466 1.104 . . . . 72.35 110.995 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.705 HD11 ' O ' ' A' ' 56' ' ' MET . 67.1 mt -43.82 139.73 2.79 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 63.34 109.346 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.62 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -74.99 144.06 29.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.791 . . . . 43.25 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -19.82 55.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 63.1 109.262 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -3.64 25.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 52.4 110.285 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.9 m-20 -108.28 5.56 25.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 64.12 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -50.07 -49.63 74.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 74.11 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.05 -8.64 20.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.511 1.795 . . . . 64.34 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 15.5 mtm180 -89.15 -37.87 14.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 73.42 110.319 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.756 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -72.64 -26.28 61.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 73.3 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.27 131.32 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 75.02 109.329 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER 86.05 -13.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 71.35 109.987 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -99.82 127.04 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 74.52 110.989 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.1 mt-30 -77.96 179.48 6.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 54.43 110.277 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.598 HG21 HG22 ' A' ' 11' ' ' ILE . 2.9 m -112.18 143.8 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 71.52 109.305 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 46' ' ' ASN . 24.2 p30 -92.65 32.55 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 74.25 109.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.85 ' HA ' HD12 ' A' ' 13' ' ' ILE . 41.3 tt0 176.04 149.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 72.23 110.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.415 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -66.2 106.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 60.22 109.273 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 47' ' ' GLN . 15.9 t -109.23 101.05 43.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 74.11 109.35 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 10' ' ' LEU . 18.4 Cg_endo -75.0 166.96 28.1 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.486 1.782 . . . . 44.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.7 ttp -61.04 147.43 43.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 74.34 111.015 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.3 -9.86 60.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 33.13 111.012 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.3 m -87.12 115.37 24.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 60.21 110.382 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.826 ' OG1' HG21 ' A' ' 27' ' ' VAL . 97.0 m -49.55 144.29 6.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 73.42 110.423 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.578 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -87.26 130.19 34.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 62.54 109.268 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.705 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.9 mmt -116.29 154.17 48.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 64.52 110.975 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.01 -11.81 21.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.555 1.818 . . . . 72.32 111.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -100.94 10.36 41.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 73.15 109.28 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.62 ' HE2' ' H ' ' A' ' 56' ' ' MET . 35.4 mtm -120.77 9.37 10.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 72.04 111.006 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.756 HG11 ' CD1' ' A' ' 40' ' ' LEU . 94.7 t -122.67 132.93 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 70.11 109.312 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.455 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -85.36 149.08 25.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 75.13 109.3 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.17 14.53 33.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.547 1.154 . . . . 54.21 110.97 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 69.2 t80 -80.68 174.96 11.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 0.761 . . . . 74.54 111.008 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.565 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 171.77 158.88 0.24 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 42.51 109.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 62.13 111.002 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.294 -0.261 . . . . 63.11 110.294 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -91.46 113.7 26.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 73.3 110.278 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 m -101.28 149.8 23.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 70.45 109.961 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.57 HG12 ' HB2' ' A' ' 55' ' ' LEU . 62.5 t -59.28 139.39 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 60.42 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.704 ' O ' HG22 ' A' ' 23' ' ' THR . 58.4 t -136.37 128.93 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 70.22 109.316 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.443 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -49.24 105.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 75.12 109.304 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.18 -26.48 68.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 71.43 109.306 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.462 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 4.2 pt20 -156.52 175.13 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 72.35 110.306 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tp -55.84 118.08 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 61.44 109.269 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.853 HD11 ' O ' ' A' ' 21' ' ' MET . 13.0 mt -120.05 108.03 39.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.088 . . . . 70.11 109.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.859 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.02 172.06 17.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 70.35 111.013 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.885 HD12 ' HA ' ' A' ' 47' ' ' GLN . 13.1 tt -73.4 140.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 73.24 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 69.77 30.6 3.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 72.15 109.304 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.859 HG21 ' HD2' ' A' ' 12' ' ' PRO . 37.1 m -105.91 112.75 25.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 53.14 110.392 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.72 112.14 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 72.41 109.244 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.78 ' CD1' HD12 ' A' ' 40' ' ' LEU . 68.9 mt -57.31 149.22 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 54.22 109.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 p -142.39 160.83 39.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 75.31 110.413 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HB2' HD11 ' A' ' 41' ' ' ILE . 12.0 tp -66.42 -11.12 50.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 73.12 109.302 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.57 2.37 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 43.14 109.34 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.853 ' O ' HD11 ' A' ' 11' ' ' ILE . 23.3 mtm -125.52 8.75 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 71.02 111.023 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.417 ' SD ' ' CB ' ' A' ' 40' ' ' LEU . 77.9 mtm -137.63 156.63 47.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 74.42 111.019 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.5 t -161.09 -167.19 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 72.33 110.421 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.437 ' N ' ' OG1' ' A' ' 23' ' ' THR . 24.9 p -127.93 152.38 47.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 62.54 110.383 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 178.02 132.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 62.42 110.294 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.84 91.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 74.44 109.31 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.82 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.8 m -110.19 165.03 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 70.23 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.433 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 4.1 t -137.52 130.66 17.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 62.14 110.017 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.93 162.59 92.51 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.048 -2.48 . . . . 72.41 111.017 -0.012 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -75.82 151.25 37.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 73.21 110.379 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.98 -143.98 5.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 64.51 111.034 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.682 HG23 ' HD2' ' A' ' 33' ' ' PRO . 91.0 mt -45.65 141.24 4.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 75.12 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.96 149.82 37.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.802 . . . . 70.11 111.024 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.25 -15.43 47.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 70.12 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.81 -6.04 50.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 71.42 110.298 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.562 ' O ' HD23 ' A' ' 40' ' ' LEU . 16.4 m-20 -102.52 -3.13 27.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 63.44 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.538 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -44.67 -50.04 25.24 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 70.12 109.299 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.98 -17.62 19.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 62.31 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.464 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 67.0 mtp180 -79.99 -30.31 39.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 75.54 110.36 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.934 HD11 HG21 ' A' ' 60' ' ' VAL . 3.5 mm? -78.23 -29.84 48.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 74.54 109.268 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.2 mm -50.79 127.17 6.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 72.21 109.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.7 p 89.92 -29.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 52.22 110.026 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.412 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 2.3 mtm -84.46 130.17 34.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 74.34 111.017 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.5 mt-30 -83.01 -179.0 7.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 63.11 110.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.619 HG21 HG22 ' A' ' 11' ' ' ILE . 2.5 m -111.02 143.21 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 74.21 109.258 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -92.39 31.85 1.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 62.23 109.328 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.885 ' HA ' HD12 ' A' ' 13' ' ' ILE . 42.3 tt0 177.29 149.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 71.23 110.323 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.409 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.9 t -66.65 104.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 71.31 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 47' ' ' GLN . 11.7 t -106.74 104.48 51.46 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 51.04 109.303 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.76 28.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 64.44 110.978 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 34.8 ttm -61.85 145.39 52.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 72.35 111.0 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.415 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 84.29 -11.53 57.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 51.42 111.008 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.4 m -82.66 117.29 22.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 0.723 . . . . 61.14 110.403 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.82 ' OG1' HG21 ' A' ' 27' ' ' VAL . 99.8 m -49.67 144.12 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 62.3 110.413 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.57 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -88.45 125.63 34.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 72.4 109.329 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.636 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.9 mmt -110.79 154.45 43.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 73.03 111.003 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.604 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.1 Cg_endo -75.02 -15.4 20.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 73.01 110.989 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -99.92 12.34 37.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 74.42 109.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.636 ' HE2' ' H ' ' A' ' 56' ' ' MET . 27.0 mtm -120.94 10.76 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 63.23 111.006 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.934 HG21 HD11 ' A' ' 40' ' ' LEU . 45.4 t -125.87 136.93 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 72.24 109.314 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.437 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -89.89 142.83 27.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.42 109.297 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.21 15.21 67.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.092 . . . . 63.34 110.982 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.701 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 45.8 t80 -86.39 173.64 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 75.21 111.02 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 161.85 160.45 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 71.32 109.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 64.12 111.031 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.332 -0.248 . . . . 75.13 110.332 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -87.62 117.34 26.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 75.05 110.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.7 m -102.64 154.24 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 52.1 109.97 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.854 ' CG1' HD12 ' A' ' 55' ' ' LEU . 77.7 t -63.46 136.84 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 41.43 109.274 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.724 ' O ' HG22 ' A' ' 23' ' ' THR . 45.9 t -131.88 125.15 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 63.42 109.315 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.72 105.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 72.35 109.313 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.07 -27.95 69.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 54.52 109.334 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.462 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 0.1 OUTLIER -148.16 175.91 10.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 73.22 110.293 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 50' ' ' PRO . 7.2 tp -63.59 103.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 75.22 109.277 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.936 HD11 ' O ' ' A' ' 21' ' ' MET . 18.7 mt -99.67 109.14 54.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 75.34 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.873 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -74.99 169.14 23.29 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.497 1.788 . . . . 72.11 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 tt -71.19 141.83 16.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 70.34 109.324 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 66.78 31.41 7.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 64.24 109.298 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.873 HG21 ' HD2' ' A' ' 12' ' ' PRO . 26.7 m -107.34 112.11 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 75.21 110.373 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.411 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.92 110.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 72.15 109.31 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.422 ' CD2' HG21 ' A' ' 11' ' ' ILE . 62.5 mt -56.96 148.02 22.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 72.52 109.256 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 16' ' ' ALA . 21.7 p -141.3 161.68 37.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 42.2 110.365 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.55 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.2 tp -66.15 -13.09 59.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 64.25 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -98.24 0.45 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 62.13 109.301 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.936 ' O ' HD11 ' A' ' 11' ' ' ILE . 34.0 mtm -125.59 9.31 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 65.13 111.014 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.437 ' CE ' HG12 ' A' ' 41' ' ' ILE . 75.3 mtm -137.14 154.8 50.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 73.23 111.007 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.2 t -161.62 -173.2 3.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 74.41 110.402 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.429 ' N ' ' OG1' ' A' ' 23' ' ' THR . 18.3 p -123.72 149.17 45.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 54.04 110.446 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.448 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.1 tmt_? 179.89 132.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 65.22 110.299 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 t -65.7 106.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 53.33 109.29 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.856 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.4 m -128.12 165.17 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 70.55 109.334 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.48 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.0 t -138.38 130.75 16.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 63.43 110.016 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.0 162.78 92.18 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.027 -2.489 . . . . 72.33 110.999 0.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 p -79.85 150.28 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 75.53 110.391 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.575 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.44 -146.37 6.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 65.03 110.977 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.753 HG21 HD21 ' A' ' 40' ' ' LEU . 62.7 mt -43.76 139.74 2.74 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.457 0.739 . . . . 74.45 109.275 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.03 147.77 34.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 74.31 110.992 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.11 -19.74 54.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 74.22 109.305 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -71.61 -4.48 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 71.11 110.31 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.531 ' O ' HD23 ' A' ' 40' ' ' LEU . 8.9 m-20 -106.55 4.71 28.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 71.35 109.323 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.26 -49.72 83.38 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 60.4 109.319 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.04 -1.52 11.34 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 73.33 111.006 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 66.0 mtp180 -97.6 -41.2 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 54.11 110.305 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.809 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -68.35 -26.56 65.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 70.14 109.334 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.55 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.5 mm -55.64 130.17 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 60.41 109.269 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 87.56 -16.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 71.23 109.991 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 1.5 mtm -98.2 129.62 44.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 75.14 111.007 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.2 mt-30 -80.57 179.05 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 63.35 110.302 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.608 HG21 HG22 ' A' ' 11' ' ' ILE . 2.5 m -109.73 143.23 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 65.32 109.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -92.4 32.96 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 61.32 109.301 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.483 ' O ' HG23 ' A' ' 49' ' ' VAL . 41.4 tt0 175.32 149.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 75.13 110.299 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.409 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.5 t -66.36 107.41 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 64.45 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 47' ' ' GLN . 62.8 t -106.03 104.43 49.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 63.43 109.267 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.497 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.98 151.19 39.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 63.32 110.984 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 32.8 ttm -50.03 142.91 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 61.34 110.993 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.406 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 85.95 -12.32 60.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.559 1.162 . . . . 71.03 110.982 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.4 m -83.93 115.41 22.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 63.44 110.379 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.856 ' OG1' HG21 ' A' ' 27' ' ' VAL . 45.3 m -50.67 142.94 10.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 74.42 110.437 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.854 HD12 ' CG1' ' A' ' 5' ' ' VAL . 5.8 mt -89.47 134.41 34.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 72.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.751 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.0 mmt -116.76 158.08 44.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 71.1 110.977 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.595 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.97 -9.96 21.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.821 . . . . 72.22 111.055 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -104.63 11.44 34.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 73.54 109.32 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 32.5 mtm -120.75 5.11 10.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 74.3 111.011 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.809 HG11 ' CD1' ' A' ' 40' ' ' LEU . 96.4 t -119.33 137.22 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 74.21 109.301 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -89.69 146.75 24.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 72.43 109.294 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.64 16.05 54.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.55 1.156 . . . . 61.24 111.029 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.695 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 50.3 t80 -85.32 173.6 10.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 74.23 110.973 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 161.96 160.44 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 60.21 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 72.42 110.99 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.265 -0.272 . . . . 71.52 110.265 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -85.33 112.81 21.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 72.21 110.292 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -101.97 149.46 24.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 65.21 110.02 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.731 HG11 HD23 ' A' ' 55' ' ' LEU . 61.1 t -61.34 135.86 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 70.21 109.283 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.808 ' O ' HG22 ' A' ' 23' ' ' THR . 44.9 t -132.81 124.14 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 51.14 109.312 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.47 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -48.34 105.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 35.12 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.31 -26.04 68.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 64.31 109.275 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.482 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 1.5 pt20 -156.62 169.81 23.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 72.32 110.324 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 50' ' ' PRO . 14.8 tp -49.34 128.05 16.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 54.4 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.754 HD11 ' O ' ' A' ' 21' ' ' MET . 14.9 mt -130.26 106.2 16.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 73.04 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.773 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.05 173.31 14.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.504 1.792 . . . . 75.53 110.969 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 47' ' ' GLN . 3.9 tt -67.75 143.67 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 71.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 m120 60.96 40.34 15.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 74.42 109.338 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.773 HG21 ' HD2' ' A' ' 12' ' ' PRO . 18.3 m -106.65 108.85 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 72.15 110.372 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -51.9 105.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 75.23 109.331 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.448 HD21 ' CG1' ' A' ' 45' ' ' VAL . 67.2 mt -55.43 148.05 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 72.14 109.317 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -143.39 162.21 36.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 51.42 110.362 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.0 tp -66.86 -12.09 57.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 75.04 109.256 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.77 1.03 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 54.02 109.335 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.754 ' O ' HD11 ' A' ' 11' ' ' ILE . 19.4 mtm -125.52 9.59 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 71.01 111.01 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -138.36 157.91 45.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 62.2 111.005 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 6' ' ' VAL . 8.9 t -161.69 -173.65 3.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 72.13 110.343 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -124.48 150.11 46.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 72.51 110.392 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.535 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.0 OUTLIER 179.27 129.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 74.13 110.302 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 t -63.87 102.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 75.01 109.289 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.816 HG21 ' OG1' ' A' ' 54' ' ' THR . 13.4 m -122.56 165.68 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 52.43 109.301 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.433 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.6 t -137.55 130.43 16.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 74.4 110.006 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.0 162.47 92.79 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.947 -2.522 . . . . 62.54 111.047 -0.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -78.9 144.51 34.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 75.23 110.416 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.508 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -122.58 -144.6 6.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 70.33 111.008 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.491 HG22 ' CG2' ' A' ' 5' ' ' VAL . 13.9 mt -41.38 137.44 1.69 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 62.12 109.329 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.0 143.97 29.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 70.21 110.992 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.37 -19.64 56.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 65.35 109.281 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.01 -3.43 26.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 51.22 110.294 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.516 ' O ' HD23 ' A' ' 40' ' ' LEU . 19.6 m-20 -108.93 6.28 25.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 74.11 109.275 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.551 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.14 -49.55 83.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 60.23 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.98 -2.05 12.03 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 73.25 111.001 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 18.4 mtm180 -97.38 -39.92 8.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 75.03 110.303 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.72 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -69.63 -25.83 64.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 74.13 109.304 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.06 131.3 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 64.13 109.315 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.2 t 86.39 -14.05 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 65.51 109.962 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mtm -99.38 130.68 45.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 53.12 111.029 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 11.6 mt-30 -82.84 174.0 11.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.32 110.317 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.616 HG21 HG22 ' A' ' 11' ' ' ILE . 5.0 m -105.33 144.0 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 75.23 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.672 HD22 ' HA ' ' A' ' 59' ' ' MET . 0.7 OUTLIER -93.37 34.34 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 62.02 109.313 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.677 ' HA ' HD12 ' A' ' 13' ' ' ILE . 42.0 tt0 175.77 151.21 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 71.33 110.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.412 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 3.3 t -68.88 102.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 72.13 109.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 47' ' ' GLN . 10.6 t -103.55 106.67 53.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 74.53 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.576 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.99 162.25 37.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 72.02 111.01 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.482 ' HE2' ' HA ' ' A' ' 9' ' ' GLN . 30.5 ttm -61.96 143.04 57.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 74.51 110.958 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.99 -9.32 69.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 70.34 111.055 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.8 m -87.96 116.97 26.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 63.22 110.418 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.816 ' OG1' HG21 ' A' ' 27' ' ' VAL . 79.5 m -49.65 144.05 6.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 53.12 110.436 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.731 HD23 HG11 ' A' ' 5' ' ' VAL . 7.8 tp -91.41 137.16 32.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 74.25 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.508 ' HE2' ' HA3' ' A' ' 31' ' ' GLY . 7.1 mmt -118.88 157.93 49.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 63.12 111.041 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.597 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -8.57 20.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.781 . . . . 72.43 111.043 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.28 0.01 33.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 70.32 109.317 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.672 ' HA ' HD22 ' A' ' 46' ' ' ASN . 37.9 mtm -109.75 11.24 24.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 74.4 111.028 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.72 HG11 ' CD1' ' A' ' 40' ' ' LEU . 96.2 t -124.52 135.3 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 34.41 109.312 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -88.35 149.92 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 74.12 109.298 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.4 14.57 27.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 52.53 111.075 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 63.6 t80 -80.42 174.53 11.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.783 . . . . 74.53 111.013 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.583 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.4 159.93 0.34 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 65.23 109.313 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 75.04 111.036 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.301 -0.259 . . . . 75.33 110.301 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -93.66 115.31 27.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 74.43 110.315 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 6' ' ' VAL . 16.2 m -102.43 149.24 24.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 70.42 109.98 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.568 HG12 ' HB2' ' A' ' 55' ' ' LEU . 65.2 t -59.19 138.87 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 71.3 109.315 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.554 ' O ' HG22 ' A' ' 23' ' ' THR . 67.5 t -135.79 126.66 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 71.34 109.279 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.431 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -47.18 106.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 61.32 109.265 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.58 -25.8 68.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 54.51 109.272 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.415 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 4.0 pt20 -156.5 178.28 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 73.52 110.301 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 50' ' ' PRO . 10.5 tp -59.08 113.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 72.32 109.322 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.901 HD11 ' O ' ' A' ' 21' ' ' MET . 17.6 mt -113.07 107.84 53.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 74.52 109.254 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.903 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.01 171.05 19.07 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 55.23 111.002 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 tt -72.15 146.0 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 63.05 109.348 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 63.4 28.55 15.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 72.15 109.273 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.903 HG21 ' HD2' ' A' ' 12' ' ' PRO . 31.8 m -104.19 111.74 24.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 74.41 110.397 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 18' ' ' THR . . . -53.59 111.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 54.34 109.277 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD21 ' CG1' ' A' ' 45' ' ' VAL . 55.1 mt -55.93 149.78 14.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 65.43 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 16' ' ' ALA . 24.6 p -143.42 161.5 38.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 74.22 110.363 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.541 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.4 tp -65.61 -15.35 62.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 65.24 109.307 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 m -96.15 1.0 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 74.34 109.293 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.901 ' O ' HD11 ' A' ' 11' ' ' ILE . 16.8 mtm -125.61 6.76 7.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 73.54 110.993 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.2 mtm -138.61 157.5 46.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 73.02 110.991 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 6' ' ' VAL . 15.4 t -161.47 -155.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 75.34 110.408 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.42 ' N ' HG23 ' A' ' 23' ' ' THR . 29.9 p -138.31 152.89 48.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 75.22 110.46 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? 176.78 136.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 73.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.9 100.08 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 71.51 109.332 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.621 HG21 ' OG1' ' A' ' 54' ' ' THR . 13.2 m -120.26 166.47 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 74.23 109.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.479 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -139.48 130.74 14.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 70.22 110.028 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.96 162.7 92.32 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.965 -2.514 . . . . 70.44 111.033 -0.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -77.91 150.3 34.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 75.43 110.385 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.87 -143.61 5.86 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.505 1.128 . . . . 71.42 111.033 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.671 HG21 HD21 ' A' ' 40' ' ' LEU . 88.4 mt -45.64 140.4 4.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.431 0.724 . . . . 75.2 109.264 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.645 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.91 145.73 32.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.449 1.763 . . . . 75.43 110.99 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.41 -20.87 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 75.22 109.267 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.01 -5.22 29.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 64.12 110.331 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.544 ' O ' HD23 ' A' ' 40' ' ' LEU . 12.8 m-20 -105.99 6.44 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 54.11 109.346 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -49.53 -50.04 68.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 74.12 109.292 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -10.52 21.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.568 1.825 . . . . 72.1 110.996 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 13.2 mtm180 -86.38 -36.49 19.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 72.11 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.73 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.1 mm? -74.53 -27.21 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.23 109.338 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.541 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -55.96 130.82 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 42.42 109.321 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.3 m 86.52 -14.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 63.2 110.01 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.5 mtm -99.97 127.71 46.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 74.21 110.995 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 4.2 mt-30 -79.45 -179.83 7.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 71.14 110.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.498 HG21 HG22 ' A' ' 11' ' ' ILE . 3.7 m -112.76 143.67 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 33.42 109.274 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.581 HD22 ' HA ' ' A' ' 59' ' ' MET . 0.8 OUTLIER -91.87 33.32 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 54.35 109.356 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.627 ' O ' HG23 ' A' ' 49' ' ' VAL . 41.7 tt0 175.66 148.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 65.3 110.286 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.407 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -66.95 104.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 74.13 109.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 47' ' ' GLN . 13.8 t -106.64 105.35 54.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 64.13 109.333 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.48 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.05 166.5 29.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 62.41 110.998 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.415 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 16.6 ttp -62.21 146.7 50.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 54.24 111.037 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.2 -9.45 60.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 61.11 110.992 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.0 m -85.39 118.56 25.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 64.44 110.379 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.621 ' OG1' HG21 ' A' ' 27' ' ' VAL . 61.8 m -50.26 144.05 7.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 75.44 110.394 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.568 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -88.66 125.99 35.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 72.43 109.324 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.6 ' H ' ' HE2' ' A' ' 59' ' ' MET . 5.9 mmt -112.41 153.99 44.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 65.14 110.958 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.625 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.02 -8.81 20.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 74.15 110.979 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.19 0.26 40.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 71.24 109.328 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.6 ' HE2' ' H ' ' A' ' 56' ' ' MET . 43.9 mtm -114.11 20.87 15.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.53 111.003 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.73 HG11 ' CD1' ' A' ' 40' ' ' LEU . 95.6 t -132.81 128.82 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 73.22 109.266 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.18 150.41 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 71.42 109.315 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.7 14.96 24.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 51.52 110.995 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 66.7 t80 -80.21 174.71 11.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 0.785 . . . . 74.21 110.996 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.566 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 175.03 159.66 0.37 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 52.01 109.321 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.113 0 O-C-N 124.479 1.778 . . . . 73.55 110.966 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.492 0.187 . . . . 50.45 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -115.62 131.4 56.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 71.21 109.275 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -76.56 114.13 14.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 72.31 110.327 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -90.89 114.67 27.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 73.02 110.281 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 m -101.93 155.46 18.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 71.32 109.981 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.827 ' CG1' HD12 ' A' ' 55' ' ' LEU . 81.1 t -64.17 136.13 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 70.21 109.309 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.689 ' O ' HG22 ' A' ' 23' ' ' THR . 43.1 t -132.46 124.58 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 53.04 109.317 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.7 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -48.73 106.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 72.02 109.289 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.38 -25.99 68.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 52.31 109.275 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.476 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 3.4 pt20 -157.71 173.11 17.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 74.04 110.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 50' ' ' PRO . 15.5 tp -48.67 131.55 17.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 75.04 109.283 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.7 HD12 ' HB1' ' A' ' 7' ' ' ALA . 9.9 mt -135.99 104.02 9.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 53.21 109.274 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.743 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.0 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 62.44 111.019 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 47' ' ' GLN . 3.0 tt -68.26 139.71 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 43.43 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 66.02 38.85 4.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 63.52 109.318 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.743 HG21 ' HD2' ' A' ' 12' ' ' PRO . 15.9 m -106.03 110.5 22.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 53.33 110.386 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.41 107.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.23 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.448 HD21 HG13 ' A' ' 45' ' ' VAL . 65.3 mt -58.02 147.79 28.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 53.52 109.348 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.8 p -143.49 162.1 36.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 71.53 110.391 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.552 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.3 tp -66.32 -11.82 53.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 65.14 109.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 m -100.37 0.18 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 64.23 109.336 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.567 ' O ' HD11 ' A' ' 11' ' ' ILE . 18.0 mtm -125.29 10.52 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 73.41 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.1 mtm -139.96 155.65 47.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 63.22 111.008 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.8 t -161.63 -169.3 2.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 65.01 110.418 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.446 ' N ' ' OG1' ' A' ' 23' ' ' THR . 17.9 p -127.09 148.89 50.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 72.11 110.416 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -178.17 137.89 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 74.03 110.323 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 t -70.21 101.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 73.53 109.287 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.836 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.5 m -123.54 164.84 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 64.41 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.434 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.5 t -139.0 130.99 15.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 73.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.0 162.74 92.24 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.005 -2.498 . . . . 73.42 111.017 -0.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 p -79.04 150.28 31.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 74.53 110.441 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.555 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.65 -145.7 6.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 52.43 110.996 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.678 HG21 HD21 ' A' ' 40' ' ' LEU . 68.0 mt -43.37 139.7 2.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 72.11 109.285 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.599 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -75.02 146.85 33.06 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.454 1.765 . . . . 64.12 110.989 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.2 -19.95 56.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 52.22 109.325 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.46 -4.87 28.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 63.15 110.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.561 ' O ' HD23 ' A' ' 40' ' ' LEU . 13.7 m-20 -106.36 5.15 29.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 74.43 109.307 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.19 -50.2 80.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 72.54 109.293 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.96 -2.07 12.05 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.491 1.785 . . . . 53.44 111.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 69.2 mtp180 -97.4 -38.86 9.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 75.42 110.32 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.78 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -70.85 -25.57 62.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 65.13 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.552 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.26 130.42 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 72.05 109.293 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.3 t 86.9 -14.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 72.33 109.998 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.459 ' HE2' HD13 ' A' ' 40' ' ' LEU . 1.5 mtm -98.66 131.0 45.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 74.34 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.2 mt-30 -84.02 174.67 10.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 65.23 110.293 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.585 HG21 HG22 ' A' ' 11' ' ' ILE . 3.7 m -104.19 152.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 75.12 109.308 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.493 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 27.1 p30 -101.72 29.35 4.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 74.12 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.597 ' O ' HG23 ' A' ' 49' ' ' VAL . 37.7 tt0 -179.92 151.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 73.32 110.292 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.464 HG22 ' HA ' ' A' ' 12' ' ' PRO . 3.4 t -69.65 100.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 64.11 109.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 47' ' ' GLN . 2.9 t -102.64 107.23 53.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 73.22 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.508 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.0 Cg_endo -75.05 159.98 40.55 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.466 1.772 . . . . 75.24 110.96 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.476 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 31.6 ttm -56.94 142.67 40.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 72.1 110.99 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 86.1 -11.28 63.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.452 1.095 . . . . 54.23 111.039 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.5 m -83.69 114.64 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 71.51 110.384 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.836 ' OG1' HG21 ' A' ' 27' ' ' VAL . 56.5 m -49.68 141.87 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 75.23 110.409 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.827 HD12 ' CG1' ' A' ' 5' ' ' VAL . 5.4 mt -89.25 134.07 34.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 75.44 109.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.678 ' O ' HD11 ' A' ' 32' ' ' ILE . 8.6 mmt -115.06 157.88 42.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 73.14 110.976 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.591 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.03 -9.33 20.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 62.23 111.009 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -106.44 11.95 30.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 72.12 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 28.0 mtm -120.83 8.67 10.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 63.41 110.968 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.78 HG11 ' CD1' ' A' ' 40' ' ' LEU . 96.7 t -120.87 134.5 64.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 71.34 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.493 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.8 mtpp -89.84 131.29 35.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 73.43 109.275 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.25 18.68 75.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.15 . . . . 33.13 110.988 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.695 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 58.2 t80 -89.53 173.84 8.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 74.1 111.011 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 161.64 159.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 71.34 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.792 . . . . 74.15 111.037 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 64.33 109.288 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.6 ttm . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.521 0.2 . . . . 71.41 110.958 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -132.21 121.76 24.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 71.33 109.284 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -96.1 113.39 25.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 74.52 110.304 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -83.76 113.19 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 41.14 110.306 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 6' ' ' VAL . 13.6 m -101.85 152.67 20.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.43 110.009 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.599 HG12 ' HB2' ' A' ' 55' ' ' LEU . 72.0 t -60.7 139.33 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 51.43 109.312 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.621 ' O ' HG22 ' A' ' 23' ' ' THR . 61.8 t -136.57 128.74 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 71.01 109.321 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -49.87 106.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 53.34 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.04 68.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 54.13 109.333 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.438 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 7.5 pt20 -157.83 177.05 11.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 50.21 110.312 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 50' ' ' PRO . 8.4 tp -56.99 119.35 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 74.52 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.751 HD11 ' O ' ' A' ' 21' ' ' MET . 10.6 mt -120.14 109.08 37.55 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 71.24 109.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.863 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.99 171.02 19.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.789 . . . . 61.3 110.977 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.4 tt -73.04 139.5 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 73.02 109.28 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 69.8 31.79 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 62.14 109.338 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.863 HG21 ' HD2' ' A' ' 12' ' ' PRO . 28.9 m -106.36 111.39 23.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 71.21 110.388 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 18' ' ' THR . . . -52.75 109.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 62.21 109.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.468 ' CD1' HD12 ' A' ' 40' ' ' LEU . 62.0 mt -54.73 149.27 11.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 63.2 109.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 16' ' ' ALA . 24.5 p -142.92 161.94 36.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 73.13 110.393 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.8 tp -66.28 -12.74 58.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 72.14 109.28 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.431 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 2.4 m -99.3 0.98 10.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 54.12 109.272 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.751 ' O ' HD11 ' A' ' 11' ' ' ILE . 15.3 mtm -125.62 10.33 7.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 73.34 111.021 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.2 mtm -140.21 155.89 46.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.44 110.954 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 6' ' ' VAL . 8.8 t -161.77 -166.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 42.44 110.429 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.434 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.3 p -127.58 152.11 48.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 73.34 110.409 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 179.62 139.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 72.1 110.301 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.55 92.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 73.12 109.327 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.789 HG21 ' OG1' ' A' ' 54' ' ' THR . 9.2 m -113.28 163.37 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 74.53 109.273 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.451 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.74 131.35 15.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 71.31 109.967 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.93 162.64 92.41 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.005 -2.498 . . . . 75.21 111.058 -0.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -75.85 153.07 37.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 41.12 110.408 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.39 -140.91 5.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 53.32 110.976 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.759 HD11 ' O ' ' A' ' 56' ' ' MET . 38.7 mt -48.21 142.39 7.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 74.31 109.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.726 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.03 146.41 32.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 55.21 110.962 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.15 -20.1 62.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 42.34 109.305 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.84 -5.81 40.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 74.15 110.356 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.54 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.4 m-20 -105.16 2.62 29.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 73.13 109.281 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -47.6 -49.29 56.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 71.32 109.319 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.0 -13.7 21.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 70.2 110.992 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 12.8 mtm180 -83.56 -34.01 25.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 74.35 110.344 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.779 ' CD1' HG21 ' A' ' 60' ' ' VAL . 3.7 mm? -75.25 -27.01 59.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 71.22 109.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.7 mm -55.76 130.91 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 73.35 109.282 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 86.33 -14.75 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 65.21 109.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -97.97 127.39 43.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 74.43 111.004 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.6 mt-30 -80.86 179.66 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 52.53 110.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.448 HG21 HG22 ' A' ' 11' ' ' ILE . 4.4 m -110.73 150.33 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 61.44 109.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 17.9 p30 -99.38 27.55 5.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 75.33 109.307 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.703 ' O ' HG23 ' A' ' 49' ' ' VAL . 40.2 tt0 -178.63 147.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 74.34 110.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.65 102.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 75.4 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 47' ' ' GLN . 15.9 t -104.99 105.47 51.58 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 70.14 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.453 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -74.99 167.81 26.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 62.13 111.011 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.438 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 8.3 ttp -64.69 148.53 50.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 60.43 111.009 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.46 -7.21 61.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 63.05 111.052 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.5 m -88.77 119.13 28.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 64.32 110.377 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.789 ' OG1' HG21 ' A' ' 27' ' ' VAL . 87.5 m -49.72 144.4 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 63.25 110.37 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.599 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -89.12 124.9 34.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 61.41 109.302 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.759 ' O ' HD11 ' A' ' 32' ' ' ILE . 8.2 mmt -108.52 152.94 42.34 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 73.53 111.006 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.592 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -14.57 21.14 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.475 1.776 . . . . 60.42 111.02 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -100.96 12.75 37.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 51.5 109.294 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.622 ' HE2' ' H ' ' A' ' 56' ' ' MET . 24.5 mtm -120.61 7.4 10.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 72.11 111.02 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.779 HG21 ' CD1' ' A' ' 40' ' ' LEU . 42.7 t -121.58 135.11 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 73.11 109.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.487 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.8 mtpp -89.49 136.2 33.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 70.01 109.275 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.65 15.48 81.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 63.45 110.999 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 45.4 t80 -87.79 174.38 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 60.32 111.024 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.623 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.02 159.69 0.32 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 44.25 109.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -162.24 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 74.4 111.052 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 53.43 109.282 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.2 ptp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.511 0.196 . . . . 60.14 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -80.33 128.86 34.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 71.1 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -48.83 116.25 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 72.45 110.27 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -96.84 115.9 28.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 74.41 110.309 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.9 m -101.45 150.46 23.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 63.35 110.009 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.603 HG11 HD22 ' A' ' 55' ' ' LEU . 78.0 t -61.11 134.44 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 62.3 109.31 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.764 ' O ' HG22 ' A' ' 23' ' ' THR . 61.2 t -129.86 126.11 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 53.52 109.346 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.91 104.75 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 73.03 109.307 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.9 69.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 62.12 109.321 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.439 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 5.0 pt20 -154.25 176.28 12.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 73.21 110.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 50' ' ' PRO . 9.8 tp -56.57 119.65 6.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 61.32 109.255 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.473 HG21 HD23 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -117.14 105.22 49.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 74.2 109.314 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.873 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.99 161.57 38.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 61.43 110.984 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.49 HG23 ' ND2' ' A' ' 14' ' ' ASN . 2.0 tt -66.05 140.19 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 74.52 109.306 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.49 ' ND2' HG23 ' A' ' 13' ' ' ILE . 8.1 m-80 69.68 29.89 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 62.12 109.322 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.873 HG21 ' HD2' ' A' ' 12' ' ' PRO . 32.3 m -106.29 112.07 24.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 75.34 110.461 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.53 109.74 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 61.32 109.336 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.473 HD23 HG21 ' A' ' 11' ' ' ILE . 61.7 mt -54.9 149.8 11.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 74.02 109.304 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 p -143.42 161.63 37.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 71.34 110.399 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.0 tp -66.02 -14.78 62.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 64.33 109.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -97.58 1.68 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 63.23 109.289 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.403 ' O ' HD11 ' A' ' 11' ' ' ILE . 16.2 mtm -125.67 8.89 7.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 74.32 111.005 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -138.63 158.23 44.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 73.41 110.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 6' ' ' VAL . 10.3 t -161.77 -167.9 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 61.01 110.403 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.441 ' N ' ' OG1' ' A' ' 23' ' ' THR . 22.1 p -129.44 149.5 51.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 52.35 110.375 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 179.15 135.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 74.11 110.321 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.97 103.2 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 62.54 109.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.697 HG21 ' OG1' ' A' ' 54' ' ' THR . 14.9 m -123.6 167.06 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 43.14 109.284 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.474 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 6.8 t -139.23 130.39 14.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 75.11 109.99 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.95 162.86 91.98 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.988 -2.505 . . . . 70.22 111.028 -0.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -80.5 148.83 30.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.14 110.409 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.626 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.39 -145.94 6.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 24.43 110.992 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 56' ' ' MET . 66.6 mt -41.3 138.83 1.45 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 74.45 109.329 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.578 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.97 144.94 30.94 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 52.34 110.984 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.28 -20.29 58.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 75.21 109.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.28 -5.16 30.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 70.25 110.282 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.545 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.5 m-20 -106.24 6.65 30.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 65.15 109.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.03 -50.28 79.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 62.12 109.298 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.01 -1.91 11.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.436 1.756 . . . . 71.2 110.981 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 16.6 mtm180 -97.23 -38.83 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.11 110.312 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.748 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -70.78 -26.51 63.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 63.45 109.311 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -55.81 131.22 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 74.11 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.4 t 86.49 -14.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 64.5 109.967 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mtm -99.28 128.22 45.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 63.14 110.987 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.3 mt-30 -80.21 179.42 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 71.02 110.304 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.439 ' O ' ' CE ' ' A' ' 61' ' ' LYS . 2.9 m -110.85 143.01 21.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 72.02 109.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -92.72 31.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 72.03 109.28 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.581 ' O ' HG23 ' A' ' 49' ' ' VAL . 41.3 tt0 177.73 148.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 63.24 110.252 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.413 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -63.5 106.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 74.23 109.314 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 47' ' ' GLN . 68.0 t -109.31 100.69 42.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.12 109.288 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.01 168.4 24.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.788 . . . . 74.35 111.013 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.4 ttp -64.74 149.96 48.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 72.53 111.006 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.99 -3.41 65.3 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.134 . . . . 71.12 110.986 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.2 m -95.2 115.48 27.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 0.737 . . . . 75.32 110.376 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.697 ' OG1' HG21 ' A' ' 27' ' ' VAL . 38.6 m -49.77 144.3 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 54.35 110.409 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.603 HD22 HG11 ' A' ' 5' ' ' VAL . 9.7 tp -91.15 136.07 33.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 73.41 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.67 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.4 mmt -119.37 158.06 49.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 75.5 110.981 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.01 -8.9 20.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 72.33 110.983 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -103.7 10.25 36.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 74.41 109.294 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.636 ' HE2' ' H ' ' A' ' 56' ' ' MET . 37.5 mtm -120.77 9.04 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 72.24 111.019 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.748 HG11 ' CD1' ' A' ' 40' ' ' LEU . 96.2 t -123.07 133.74 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 42.31 109.297 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -86.69 149.85 24.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 74.34 109.302 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.67 14.21 28.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 65.33 111.006 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 71.0 t80 -80.0 175.06 10.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.798 . . . . 62.33 111.01 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.564 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 172.67 158.92 0.26 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 62.05 109.341 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 54.32 110.988 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 54.15 109.315 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.481 0.181 . . . . 75.41 111.027 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -162.92 135.2 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 73.12 109.313 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -71.72 113.52 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 73.41 110.304 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -89.15 114.75 26.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 74.41 110.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.4 m -103.39 152.02 22.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 74.3 109.978 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.578 HG11 ' CD2' ' A' ' 55' ' ' LEU . 75.8 t -61.44 135.43 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 72.32 109.263 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.47 ' O ' HG22 ' A' ' 23' ' ' THR . 62.0 t -131.87 125.83 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 75.32 109.285 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.63 105.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 75.12 109.324 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.64 -26.2 68.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 61.32 109.327 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.99 -175.18 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 61.25 110.258 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.8 tp -72.62 105.4 4.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 73.12 109.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.539 HG21 HD23 ' A' ' 17' ' ' LEU . 1.8 mt -100.1 108.95 54.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 74.42 109.293 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.85 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.1 Cg_endo -74.99 168.72 24.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 72.24 110.957 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.936 HD12 ' HA ' ' A' ' 47' ' ' GLN . 7.2 tt -70.0 137.68 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 71.35 109.278 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 66.51 41.42 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 74.53 109.307 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.85 HG21 ' HD2' ' A' ' 12' ' ' PRO . 31.5 m -114.55 110.7 20.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 72.42 110.395 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -49.73 107.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 73.43 109.268 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.539 HD23 HG21 ' A' ' 11' ' ' ILE . 58.9 mt -54.34 149.89 9.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 74.11 109.274 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 p -143.34 161.14 39.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 73.12 110.419 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.3 tp -65.41 -17.35 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 75.12 109.271 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -94.29 1.01 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 60.33 109.335 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.51 ' O ' HD11 ' A' ' 11' ' ' ILE . 27.5 mtm -125.55 6.46 7.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 71.42 110.97 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -139.98 157.17 46.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 73.13 110.983 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 24' ' ' THR . 15.2 t -161.39 -152.03 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 71.23 110.435 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.495 ' N ' HG23 ' A' ' 23' ' ' THR . 30.2 p -141.84 151.06 42.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 75.55 110.412 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? 179.91 143.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 72.51 110.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -74.85 97.46 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 71.35 109.294 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.801 HG21 ' OG1' ' A' ' 54' ' ' THR . 8.4 m -119.11 163.0 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 73.32 109.287 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.44 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.9 t -137.54 131.08 17.15 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 70.31 110.001 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.04 162.75 92.22 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.955 -2.519 . . . . 60.11 111.001 -0.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 p -78.16 149.42 33.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 65.35 110.404 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.604 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -127.12 -145.73 6.29 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.535 1.147 . . . . 60.03 111.012 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.662 HD11 ' O ' ' A' ' 56' ' ' MET . 59.5 mt -42.26 139.27 1.85 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 64.34 109.313 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.97 145.77 31.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 74.23 110.991 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.24 -20.14 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 73.11 109.291 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.42 -4.97 29.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 71.13 110.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.556 ' O ' HD23 ' A' ' 40' ' ' LEU . 16.7 m-20 -106.37 6.39 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 33.15 109.307 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.528 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -51.86 -50.81 75.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 72.31 109.307 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.97 -1.9 11.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 71.24 111.043 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.447 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 16.0 mtm180 -97.0 -38.09 9.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 73.4 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.667 ' CD1' HG21 ' A' ' 60' ' ' VAL . 4.0 mm? -71.85 -26.41 62.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 55.02 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.04 131.29 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 72.42 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 86.46 -14.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 72.31 110.026 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mtm -99.24 127.01 45.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.097 . . . . 70.23 110.998 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.9 mt-30 -78.44 179.23 7.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 72.4 110.296 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.463 ' CG1' HD21 ' A' ' 17' ' ' LEU . 4.5 m -108.95 152.49 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 71.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.697 ' C ' HD21 ' A' ' 46' ' ' ASN . 0.2 OUTLIER -103.21 28.46 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 70.43 109.3 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.936 ' HA ' HD12 ' A' ' 13' ' ' ILE . 41.6 tt0 179.77 148.32 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 71.34 110.344 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.407 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.5 t -65.72 106.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 60.44 109.302 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 47' ' ' GLN . 6.3 t -109.41 100.55 42.03 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.33 109.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.475 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.0 155.06 42.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.479 1.778 . . . . 74.32 110.988 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.8 ttp -49.82 147.57 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 75.12 110.99 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.76 -5.58 69.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 70.52 110.981 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.8 m -91.94 116.17 28.69 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 0.763 . . . . 51.42 110.408 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.801 ' OG1' HG21 ' A' ' 27' ' ' VAL . 94.2 m -51.47 144.41 10.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 52.35 110.377 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.578 ' CD2' HG11 ' A' ' 5' ' ' VAL . 8.8 tp -91.41 134.12 34.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 55.11 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.662 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.5 mmt -119.25 158.2 49.15 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 71.22 110.988 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.586 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.99 -11.08 21.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.772 . . . . 71.33 111.039 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.62 11.51 37.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 55.04 109.304 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.468 ' HA ' HD22 ' A' ' 46' ' ' ASN . 32.7 mtm -120.96 7.61 10.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 64.22 111.005 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 40' ' ' LEU . 78.7 t -120.05 139.46 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 65.22 109.307 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.498 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -90.11 148.19 23.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.51 109.32 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.02 16.78 34.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 63.41 110.979 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 71.1 t80 -80.87 174.98 11.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 75.31 110.98 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.68 158.54 0.21 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 72.24 109.336 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -162.23 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.502 1.79 . . . . 65.42 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 72.12 109.313 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.4 tmm? . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.503 0.192 . . . . 73.54 111.025 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -149.95 111.88 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 74.14 109.295 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -68.38 115.96 8.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 74.1 110.273 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -92.48 115.45 28.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 72.15 110.302 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 6' ' ' VAL . 12.3 m -101.86 150.51 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 75.53 110.007 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.571 HG12 ' HB2' ' A' ' 55' ' ' LEU . 64.6 t -59.31 139.61 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 73.35 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.745 ' O ' HG22 ' A' ' 23' ' ' THR . 58.0 t -135.89 127.41 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 74.52 109.267 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.38 105.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 74.13 109.326 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.41 -26.7 68.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 73.31 109.323 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.479 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 2.8 pt20 -156.51 176.93 12.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 60.12 110.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 tp -58.21 114.49 2.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 64.34 109.261 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.914 HD11 ' O ' ' A' ' 21' ' ' MET . 14.0 mt -114.63 108.75 48.84 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 63.22 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.864 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.05 167.43 27.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.543 1.812 . . . . 70.12 110.999 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.4 tt -70.48 139.58 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 70.33 109.327 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 70.48 29.63 3.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 73.14 109.345 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.864 HG21 ' HD2' ' A' ' 12' ' ' PRO . 26.0 m -105.82 111.46 24.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 73.12 110.41 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.41 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.36 107.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 31.43 109.272 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.444 HD21 ' CG1' ' A' ' 45' ' ' VAL . 54.9 mt -53.03 149.87 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 75.32 109.295 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 p -143.53 161.5 38.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 74.33 110.389 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.5 tp -65.96 -14.93 62.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 71.44 109.273 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -97.09 1.62 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 73.02 109.28 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.914 ' O ' HD11 ' A' ' 11' ' ' ILE . 29.0 mtm -125.43 4.47 7.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 75.51 111.005 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.1 mtm -133.64 156.61 47.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 71.43 111.024 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.745 HG22 ' O ' ' A' ' 6' ' ' VAL . 10.2 t -161.59 -172.32 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 62.12 110.41 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.419 ' N ' ' OG1' ' A' ' 23' ' ' THR . 20.3 p -123.64 150.72 43.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 75.45 110.366 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -179.54 135.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 51.23 110.278 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 t -69.92 92.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 72.53 109.34 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.825 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.2 m -111.99 164.96 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 72.22 109.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.445 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 t -138.61 130.85 15.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 70.35 110.013 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.98 162.8 92.12 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.011 -2.495 . . . . 64.42 111.012 -0.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -77.73 149.73 34.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 64.43 110.396 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.91 -143.25 5.78 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.555 1.159 . . . . 54.12 110.95 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.682 HD11 ' O ' ' A' ' 56' ' ' MET . 70.4 mt -43.92 139.52 2.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 61.41 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.602 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -74.98 145.14 31.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.769 . . . . 61.22 111.01 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.32 58.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 73.22 109.318 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -4.18 27.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 74.5 110.267 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.534 ' O ' HD23 ' A' ' 40' ' ' LEU . 13.8 m-20 -107.54 5.76 27.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 70.21 109.323 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.546 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.12 -49.66 83.25 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 75.25 109.299 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -75.0 -2.94 13.19 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 73.42 111.054 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.417 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 17.3 mtm180 -96.01 -40.16 9.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 65.5 110.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.777 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -69.58 -26.42 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 44.54 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -55.83 131.75 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 75.31 109.266 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.6 t 86.31 -14.28 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 73.42 109.994 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.3 mtm -99.78 127.75 45.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 72.21 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.5 mt-30 -78.77 178.74 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 72.24 110.326 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.504 HG21 HG22 ' A' ' 11' ' ' ILE . 3.7 m -110.55 144.0 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 74.14 109.277 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.618 HD22 ' HA ' ' A' ' 59' ' ' MET . 0.8 OUTLIER -93.27 32.49 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 72.33 109.284 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.681 ' O ' HG23 ' A' ' 49' ' ' VAL . 41.1 tt0 176.24 148.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 74.41 110.263 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.411 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -64.93 107.39 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 55.12 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 47' ' ' GLN . 12.2 t -109.8 103.28 52.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 63.32 109.297 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.13 27.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 75.04 111.028 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 35.2 ttm -62.72 145.37 54.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 73.03 111.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 83.76 -10.04 60.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.554 1.159 . . . . 72.41 111.006 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.1 m -84.36 116.53 23.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 0.735 . . . . 72.25 110.376 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.825 ' OG1' HG21 ' A' ' 27' ' ' VAL . 97.3 m -49.57 144.5 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 72.23 110.393 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.571 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -87.5 133.23 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 63.43 109.309 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.682 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.0 mmt -118.14 154.0 51.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 71.24 110.984 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -9.06 20.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 71.35 111.028 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.16 -0.99 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 70.01 109.343 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.641 ' HE2' ' H ' ' A' ' 56' ' ' MET . 34.4 mtm -108.38 10.49 27.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 64.24 110.984 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.777 HG11 ' CD1' ' A' ' 40' ' ' LEU . 98.1 t -124.15 131.45 72.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 75.42 109.277 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -84.99 149.6 25.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 55.45 109.311 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.98 15.22 27.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.142 . . . . 43.44 111.01 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.601 ' HB2' HG12 ' A' ' 60' ' ' VAL . 72.7 t80 -79.19 174.57 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 73.42 111.019 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.535 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 173.99 158.77 0.32 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 72.25 109.264 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 71.15 111.002 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 51.43 109.271 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.4 tpt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.491 0.186 . . . . 73.41 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.73 130.25 35.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 71.34 109.3 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -107.01 104.16 13.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 44.22 110.297 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.3 114.32 26.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 70.13 110.275 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.456 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.4 m -101.7 151.79 21.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 53.14 109.969 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.68 HG12 HD23 ' A' ' 55' ' ' LEU . 93.5 t -59.87 143.23 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 73.42 109.304 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.686 ' O ' HG22 ' A' ' 23' ' ' THR . 53.7 t -139.13 124.89 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 73.24 109.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 102.89 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 64.13 109.293 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.06 -29.97 71.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 74.33 109.333 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -143.53 179.08 7.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 72.14 110.316 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 50' ' ' PRO . 8.8 tp -62.56 121.05 12.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 61.41 109.292 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.65 HG21 ' CD2' ' A' ' 17' ' ' LEU . 1.5 mt -115.82 102.92 54.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 62.32 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.862 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.02 161.22 39.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 70.33 110.991 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.951 HD12 ' HA ' ' A' ' 47' ' ' GLN . 5.6 tt -63.54 136.37 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 73.32 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 67.2 43.19 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 75.34 109.31 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.862 HG21 ' HD2' ' A' ' 12' ' ' PRO . 55.2 m -117.4 115.98 26.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 53.33 110.419 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.87 110.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 64.53 109.29 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.65 ' CD2' HG21 ' A' ' 11' ' ' ILE . 87.8 mt -59.04 149.16 28.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 74.24 109.3 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.4 p -142.94 161.12 38.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 62.35 110.412 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 7.7 tp -65.38 -17.43 64.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 74.41 109.262 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.9 m -92.23 -0.6 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 75.41 109.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.9 mtm -125.75 10.32 7.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 75.4 110.943 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.7 mtm -138.57 152.94 48.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 61.44 111.058 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.0 t -160.46 -174.26 4.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 72.32 110.396 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.1 p -121.15 146.77 46.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 61.22 110.414 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.461 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -175.54 131.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 75.45 110.262 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -66.37 97.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 75.53 109.306 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.903 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.0 m -117.17 165.7 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 71.11 109.295 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.437 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.81 130.73 15.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 74.42 110.011 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -75.0 162.81 92.12 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.035 -2.485 . . . . 75.24 111.009 0.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 p -76.26 149.94 37.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 53.34 110.379 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.499 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.71 -145.45 6.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.429 1.081 . . . . 64.22 111.03 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.713 HD11 ' O ' ' A' ' 56' ' ' MET . 52.8 mt -44.01 139.69 2.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 64.32 109.312 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.0 145.77 31.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 70.02 111.009 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.67 60.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 71.41 109.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.43 -4.74 28.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 64.24 110.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.536 ' O ' HD23 ' A' ' 40' ' ' LEU . 12.4 m-20 -107.29 5.27 27.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.168 . . . . 74.3 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.39 -49.65 84.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 71.13 109.278 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -1.75 11.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.53 1.805 . . . . 72.43 111.014 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 18.3 mtm180 -97.38 -40.36 8.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 72.52 110.331 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.683 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -69.13 -27.05 65.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 71.23 109.291 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -55.71 131.73 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 64.23 109.309 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 86.35 -14.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.32 109.999 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtm -98.48 130.35 45.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 64.22 110.944 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.2 mt-30 -82.74 170.9 14.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 60.33 110.278 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.628 ' CG1' HD21 ' A' ' 17' ' ' LEU . 29.1 m -100.23 154.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 53.31 109.285 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.499 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 20.6 p30 -106.04 30.52 5.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 65.14 109.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.951 ' HA ' HD12 ' A' ' 13' ' ' ILE . 40.9 tt0 178.71 148.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 71.33 110.294 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.414 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -63.12 103.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 74.11 109.309 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 47' ' ' GLN . 89.3 t -109.95 99.73 40.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 73.34 109.279 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.513 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.1 Cg_endo -74.99 160.77 39.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 53.12 110.975 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 36.0 ttp -52.57 148.23 7.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.23 111.015 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.99 -4.7 69.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 74.52 111.005 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.8 m -88.79 114.32 25.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 75.24 110.42 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.903 ' OG1' HG21 ' A' ' 27' ' ' VAL . 51.8 m -49.71 144.3 6.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.25 110.387 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.68 HD23 HG12 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -85.37 132.57 34.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 63.1 109.337 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.713 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.6 mmt -121.16 152.3 56.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 73.21 110.987 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.0 Cg_endo -75.03 -9.74 20.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.558 1.82 . . . . 64.15 110.963 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.58 8.11 37.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 74.24 109.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.48 ' HE2' ' HB2' ' A' ' 59' ' ' MET . 20.0 mtm -120.96 11.85 11.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 64.02 111.018 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.683 HG11 ' CD1' ' A' ' 40' ' ' LEU . 92.3 t -122.5 138.63 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 74.01 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.499 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -90.27 149.26 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 73.21 109.294 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.94 18.07 24.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 72.02 111.015 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 72.9 t80 -81.6 174.6 11.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 62.04 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.545 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 174.13 158.22 0.32 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 71.25 109.338 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.554 1.818 . . . . 64.33 110.979 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 40.13 109.303 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 15.2 tpp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.457 0.17 . . . . 74.22 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -109.21 133.86 52.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 64.43 109.339 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -68.41 111.98 4.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 64.1 110.33 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -89.35 113.74 25.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 75.12 110.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.485 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.7 m -102.92 152.13 21.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 74.3 109.98 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.602 HG12 ' HB2' ' A' ' 55' ' ' LEU . 73.8 t -59.96 139.78 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 70.5 109.324 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 23' ' ' THR . 62.1 t -137.8 130.04 40.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 64.21 109.34 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.98 106.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 70.24 109.275 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.36 -26.62 68.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 65.33 109.315 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.479 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 5.7 pt20 -156.56 -178.9 7.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 62.42 110.337 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 50' ' ' PRO . 15.3 tp -57.88 119.61 7.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 54.43 109.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -118.89 105.18 45.68 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 72.44 109.263 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.861 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.06 165.23 31.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 71.21 111.005 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.5 tt -68.72 138.38 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 70.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 70.84 32.31 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 65.34 109.296 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.861 HG21 ' HD2' ' A' ' 12' ' ' PRO . 29.4 m -107.79 112.3 24.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 74.05 110.384 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.31 110.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 54.14 109.303 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.58 HD21 ' CG1' ' A' ' 45' ' ' VAL . 77.2 mt -56.24 147.23 21.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 64.33 109.316 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 p -141.98 164.29 30.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 74.44 110.406 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.529 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.5 tp -67.46 -15.36 63.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 51.52 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -96.63 0.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 72.44 109.291 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.407 ' O ' HD11 ' A' ' 11' ' ' ILE . 13.5 mtm -125.56 8.63 7.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 54.53 110.991 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 75.6 mtm -139.55 156.11 47.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 75.53 111.032 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 6' ' ' VAL . 10.2 t -161.95 -165.31 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 72.33 110.369 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.426 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.5 p -128.12 151.57 49.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 64.51 110.422 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -179.5 135.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 72.31 110.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 t -70.66 93.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 64.13 109.327 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.822 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.4 m -114.14 164.56 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 62.42 109.29 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.437 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 4.1 t -138.65 130.95 15.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 61.11 109.994 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.03 162.81 92.09 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.006 -2.497 . . . . 70.1 111.006 0.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -74.92 152.51 38.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 65.33 110.4 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.38 -142.64 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 54.44 111.007 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.742 HD11 ' O ' ' A' ' 56' ' ' MET . 35.9 mt -46.36 141.39 4.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 71.34 109.284 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.97 144.8 30.78 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 71.11 111.006 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.83 -18.47 55.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 60.23 109.334 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.11 -2.63 28.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 73.22 110.323 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.53 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.4 m-20 -108.53 4.79 24.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 73.33 109.334 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.551 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -50.0 -49.07 76.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 64.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.01 -9.8 20.92 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 63.24 111.04 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 14.7 mtm180 -88.27 -37.83 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 72.13 110.299 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.692 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -73.3 -25.83 60.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 73.24 109.261 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.529 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.2 mm -56.71 130.77 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 71.14 109.276 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.2 m 86.78 -14.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.45 109.966 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -98.57 126.49 44.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 64.33 110.972 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.403 ' HA ' ' O ' ' A' ' 15' ' ' THR . 4.3 mt-30 -77.46 -179.88 6.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 74.22 110.252 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.58 ' CG1' HD21 ' A' ' 17' ' ' LEU . 13.6 m -111.12 153.53 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.43 109.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.654 HD22 ' HA ' ' A' ' 59' ' ' MET . 0.7 OUTLIER -103.04 31.23 4.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 54.31 109.264 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.713 ' O ' HG23 ' A' ' 49' ' ' VAL . 41.4 tt0 177.17 148.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 75.2 110.332 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.406 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -63.19 104.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 63.55 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 47' ' ' GLN . 22.0 t -107.4 102.77 45.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 75.52 109.359 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.503 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.0 173.74 14.0 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 64.13 110.982 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 35.0 ttm -68.67 146.18 53.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 61.23 111.03 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 83.39 -10.31 59.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.488 1.117 . . . . 73.31 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -84.74 116.98 23.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 0.744 . . . . 75.1 110.411 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.822 ' OG1' HG21 ' A' ' 27' ' ' VAL . 98.2 m -49.5 144.37 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 74.42 110.407 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.602 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -89.27 125.68 35.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 74.23 109.299 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.742 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.4 mmt -110.71 153.6 43.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 63.24 110.974 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.607 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.99 -8.36 20.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 70.1 110.999 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.44 0.29 33.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 73.53 109.276 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.654 ' HA ' HD22 ' A' ' 46' ' ' ASN . 38.3 mtm -112.04 16.52 20.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 65.43 111.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.692 HG11 ' CD1' ' A' ' 40' ' ' LEU . 97.2 t -126.47 131.45 71.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 73.14 109.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.2 mtpp -86.26 140.71 29.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 73.41 109.282 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.27 17.26 70.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 72.41 111.014 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 70.7 t80 -84.74 174.81 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 74.12 111.012 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 169.62 159.29 0.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 51.45 109.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.78 . . . . 73.52 111.012 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 51.54 109.288 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.2 ttt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.497 0.189 . . . . 71.1 111.03 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -149.16 124.7 10.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 73.21 109.28 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -75.83 111.62 11.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 74.32 110.303 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -89.86 120.26 30.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.23 110.293 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 6' ' ' VAL . 12.9 m -103.82 149.81 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 75.21 109.944 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.545 HG11 HD22 ' A' ' 55' ' ' LEU . 70.6 t -59.57 137.36 22.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 73.23 109.312 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.75 ' O ' HG22 ' A' ' 23' ' ' THR . 47.6 t -134.59 126.6 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 73.03 109.313 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.679 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -47.76 107.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 64.14 109.303 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.51 -25.28 68.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 72.44 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.404 ' NE2' ' HG2' ' A' ' 21' ' ' MET . 4.1 pt20 -156.04 175.92 13.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 54.42 110.27 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 tp -57.55 113.16 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 72.52 109.26 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.76 HD11 ' O ' ' A' ' 21' ' ' MET . 8.8 mt -113.03 107.92 53.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 63.43 109.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.842 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.01 170.91 19.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 74.44 110.957 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.911 HD12 ' HA ' ' A' ' 47' ' ' GLN . 8.2 tt -72.36 138.12 22.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 74.55 109.294 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 70.0 35.13 2.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 73.21 109.291 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.842 HG21 ' HD2' ' A' ' 12' ' ' PRO . 41.5 m -108.8 114.16 27.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 74.22 110.423 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 18' ' ' THR . . . -54.8 109.35 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 52.15 109.269 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.438 HD21 HG13 ' A' ' 45' ' ' VAL . 78.5 mt -57.01 149.1 19.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 62.41 109.288 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 16' ' ' ALA . 22.2 p -143.59 162.15 36.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 75.22 110.369 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.6 tp -66.51 -11.16 51.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 71.24 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 m -101.33 0.87 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 63.41 109.334 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.76 ' O ' HD11 ' A' ' 11' ' ' ILE . 37.2 mtm -125.52 10.58 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 65.12 110.974 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.5 mtm -139.16 157.79 45.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 75.35 110.993 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.75 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.1 t -161.82 -169.28 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 73.41 110.396 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.42 ' N ' ' OG1' ' A' ' 23' ' ' THR . 23.8 p -125.76 152.41 45.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 74.31 110.404 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.784 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.0 OUTLIER 174.98 108.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 74.31 110.319 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 26' ' ' VAL . 1.5 p -54.3 103.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 55.44 109.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.829 HG21 ' OG1' ' A' ' 54' ' ' THR . 25.2 m -119.76 169.58 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 73.42 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.454 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.3 t -133.6 128.31 19.97 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.145 . . . . 64.13 110.043 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -75.0 162.27 93.18 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.063 -2.474 . . . . 74.24 111.027 0.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p -80.18 148.2 30.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 45.52 110.405 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.417 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -124.83 -145.85 6.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 72.03 110.991 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.66 HD11 ' O ' ' A' ' 56' ' ' MET . 69.2 mt -43.22 138.78 2.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 75.14 109.302 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.99 145.41 31.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 74.02 110.965 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.53 -16.4 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 63.42 109.333 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 -0.52 22.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 74.41 110.291 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.537 ' O ' HD23 ' A' ' 40' ' ' LEU . 14.6 m-20 -109.57 4.39 22.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 72.4 109.29 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.94 -50.05 80.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 71.22 109.294 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.98 -1.62 11.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.509 1.794 . . . . 73.05 111.008 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 69.0 mtp180 -97.45 -41.4 8.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 73.34 110.283 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.798 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -68.25 -27.88 66.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 61.12 109.315 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' A' ' 42' ' ' SER . 1.4 mm -53.99 130.33 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 74.04 109.344 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.4 t 88.76 -22.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 71.44 109.974 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -92.98 133.02 36.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 72.11 110.975 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 4.1 mt-30 -85.1 178.78 7.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 75.01 110.301 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.507 HG21 HG22 ' A' ' 11' ' ' ILE . 3.5 m -107.34 152.33 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 73.1 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.506 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 16.3 p30 -101.98 26.02 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 71.35 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.911 ' HA ' HD12 ' A' ' 13' ' ' ILE . 40.8 tt0 -176.68 148.68 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 65.12 110.292 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.409 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.9 t -65.09 103.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 64.01 109.329 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 47' ' ' GLN . 6.2 t -106.95 103.5 47.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 73.14 109.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 161.86 38.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 74.42 111.016 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttp -58.76 144.61 43.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 75.21 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.82 -10.56 62.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 61.24 110.976 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.3 m -85.56 116.87 24.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 72.43 110.357 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.829 ' OG1' HG21 ' A' ' 27' ' ' VAL . 46.3 m -49.78 143.15 7.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 53.43 110.411 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.545 HD22 HG11 ' A' ' 5' ' ' VAL . 9.0 tp -91.81 132.83 36.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 72.21 109.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.66 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.6 mmt -116.41 158.43 43.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 70.1 110.996 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.595 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.97 -9.64 20.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.809 . . . . 74.41 110.982 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -104.09 10.91 35.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 63.24 109.305 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.5 mtm -121.12 13.16 11.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 71.24 111.001 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.798 HG11 ' CD1' ' A' ' 40' ' ' LEU . 99.4 t -126.3 134.16 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 71.22 109.293 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.506 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -87.91 140.44 29.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 72.52 109.323 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.22 18.56 71.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 51.34 110.984 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.689 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 59.0 t80 -87.34 174.07 8.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 73.52 111.002 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 162.31 157.51 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 63.35 109.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.519 1.8 . . . . 73.23 111.006 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 44.34 109.288 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.7 ptp . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.479 0.18 . . . . 73.25 111.019 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -135.66 138.05 42.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 72.42 109.309 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -41.93 110.53 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 74.45 110.286 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -82.43 123.16 28.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 52.22 110.302 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.494 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -110.05 149.71 29.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 74.33 110.012 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.781 ' CG1' HD12 ' A' ' 55' ' ' LEU . 95.3 t -61.51 137.6 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 61.13 109.282 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.607 ' O ' HG22 ' A' ' 23' ' ' THR . 33.8 t -135.1 122.2 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 62.43 109.26 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -46.48 106.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 63.33 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.69 68.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 62.22 109.298 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.471 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 3.1 pt20 -153.79 175.8 12.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 73.3 110.35 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 50' ' ' PRO . 10.8 tp -60.18 105.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 74.03 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.883 HD11 ' O ' ' A' ' 21' ' ' MET . 12.9 mt -103.14 107.97 57.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 62.02 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.879 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.04 167.96 25.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.799 . . . . 73.24 111.04 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.9 tt -70.84 141.2 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 65.41 109.304 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 69.55 27.68 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 73.41 109.296 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.879 HG21 ' HD2' ' A' ' 12' ' ' PRO . 27.2 m -103.89 111.85 24.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 55.21 110.386 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 18' ' ' THR . . . -53.75 109.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 71.31 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.466 HD13 ' HB3' ' A' ' 40' ' ' LEU . 70.1 mt -54.48 149.56 10.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 54.43 109.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 16' ' ' ALA . 22.2 p -143.4 161.89 37.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 74.24 110.398 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.4 tp -66.44 -11.43 51.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 73.23 109.255 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 m -100.94 1.02 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 31.45 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.883 ' O ' HD11 ' A' ' 11' ' ' ILE . 32.0 mtm -125.6 9.9 7.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 63.3 111.023 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -141.38 156.92 45.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 62.34 110.999 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 6' ' ' VAL . 14.6 t -161.71 -158.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 63.22 110.392 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.6 p -138.24 150.05 46.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 74.11 110.36 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.437 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.5 tmt_? -179.78 136.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 75.01 110.337 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 26' ' ' VAL . 3.0 t -67.32 97.66 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 55.2 109.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.788 HG21 ' OG1' ' A' ' 54' ' ' THR . 10.0 m -119.59 163.86 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 70.55 109.245 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.431 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.27 130.86 16.21 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 71.54 109.99 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.6 Cg_endo -74.92 163.04 91.59 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.025 -2.489 . . . . 74.02 111.026 -0.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 p -82.09 145.9 29.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 63.44 110.397 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.599 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -122.77 -142.83 6.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.143 . . . . 65.3 111.006 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.671 HG21 HD21 ' A' ' 40' ' ' LEU . 65.0 mt -43.98 139.22 3.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 75.4 109.294 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.04 145.88 31.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 64.44 110.959 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.1 -20.48 58.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 63.11 109.285 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.49 -5.59 29.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 54.22 110.32 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.563 ' O ' HD23 ' A' ' 40' ' ' LEU . 15.9 m-20 -105.57 6.39 32.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 62.14 109.265 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.53 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -51.9 -50.75 76.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 63.14 109.326 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.05 -1.78 11.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 65.5 110.927 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 16.2 mtm180 -97.38 -37.66 9.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 44.23 110.276 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.697 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -72.11 -26.14 62.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 65.41 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.559 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.02 130.98 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 74.42 109.249 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.4 t 86.2 -13.99 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 74.24 109.999 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.8 mtm -100.22 128.4 46.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 74.14 110.999 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.5 mt-30 -80.62 179.55 7.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 71.44 110.296 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.511 HG21 HG22 ' A' ' 11' ' ' ILE . 3.6 m -111.6 144.75 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 74.22 109.33 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -93.22 33.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 74.45 109.318 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.6 ' O ' HG23 ' A' ' 49' ' ' VAL . 41.2 tt0 175.93 149.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.52 110.294 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.413 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -67.7 105.88 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 72.53 109.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 47' ' ' GLN . 5.1 t -105.15 105.37 51.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 54.42 109.279 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.509 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.0 156.79 43.0 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.8 . . . . 73.55 111.007 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 30.0 ttm -56.15 143.72 32.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 64.02 110.985 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 86.52 -12.55 60.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.092 . . . . 54.53 110.973 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.7 m -85.81 115.57 23.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 74.41 110.408 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.788 ' OG1' HG21 ' A' ' 27' ' ' VAL . 32.7 m -49.64 143.54 7.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 74.24 110.434 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.781 HD12 ' CG1' ' A' ' 5' ' ' VAL . 4.8 mt -90.55 132.86 35.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 73.02 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.666 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.2 mmt -115.31 158.19 41.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 75.13 111.05 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.598 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.01 -9.16 20.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 73.51 110.991 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -102.46 8.7 39.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 73.53 109.282 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 42.4 mtm -120.64 13.37 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 62.43 111.005 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.697 HG11 ' CD1' ' A' ' 40' ' ' LEU . 88.8 t -126.19 133.75 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 64.5 109.288 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.22 150.52 24.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 73.02 109.307 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.74 15.64 20.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 75.14 111.014 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 67.9 t80 -80.98 174.95 11.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 71.24 110.947 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.579 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 173.65 159.19 0.3 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 64.13 109.303 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.549 1.815 . . . . 61.44 111.019 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 55.52 109.297 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.8 ptm . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.527 0.204 . . . . 73.21 111.031 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -132.22 136.08 46.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 71.55 109.31 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -38.75 110.56 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 74.44 110.257 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.37 114.9 25.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.33 110.316 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.471 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.3 m -102.01 151.13 22.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 74.33 109.991 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.673 HG12 HD23 ' A' ' 55' ' ' LEU . 85.1 t -59.27 142.19 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 64.3 109.269 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.732 ' O ' HG22 ' A' ' 23' ' ' THR . 56.8 t -138.39 125.41 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 70.02 109.292 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.405 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -47.24 105.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 41.41 109.34 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.13 -25.7 68.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 71.24 109.29 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.431 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 2.9 pt20 -156.45 178.36 10.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 72.25 110.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.53 113.45 2.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 55.52 109.304 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.943 HD11 ' O ' ' A' ' 21' ' ' MET . 17.3 mt -113.9 108.55 50.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.163 . . . . 75.53 109.342 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.894 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.97 171.06 19.06 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.45 1.763 . . . . 63.21 111.004 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.95 HD12 ' HA ' ' A' ' 47' ' ' GLN . 5.5 tt -72.25 146.12 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 75.11 109.349 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 62.94 29.19 16.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 73.31 109.276 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.894 HG21 ' HD2' ' A' ' 12' ' ' PRO . 32.1 m -104.5 112.66 25.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 73.24 110.404 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 18' ' ' THR . . . -52.7 110.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 73.12 109.33 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.539 HD21 ' CG1' ' A' ' 45' ' ' VAL . 74.1 mt -57.0 148.67 20.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 75.25 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 16' ' ' ALA . 37.4 p -142.67 161.2 38.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 72.11 110.391 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.9 tp -65.09 -18.45 65.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 62.43 109.307 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.9 m -93.1 1.15 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 42.31 109.292 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.943 ' O ' HD11 ' A' ' 11' ' ' ILE . 14.2 mtm -125.52 6.6 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.3 111.043 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.8 mtm -136.38 154.12 50.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 73.02 111.019 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 6' ' ' VAL . 8.8 t -159.59 -174.03 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 71.04 110.358 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -121.06 150.13 41.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 75.31 110.395 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.32 133.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 73.13 110.312 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.22 87.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 74.24 109.241 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.843 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.6 m -106.67 164.99 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 72.44 109.279 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.439 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.8 t -137.82 130.54 16.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 73.03 109.966 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.439 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.02 163.1 91.5 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.992 -2.503 . . . . 74.42 111.001 0.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 p -77.02 148.37 36.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 71.42 110.365 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.468 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.5 -145.24 6.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 53.43 111.015 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.714 HD11 ' O ' ' A' ' 56' ' ' MET . 59.9 mt -42.86 139.14 2.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 75.21 109.316 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -74.97 146.38 32.69 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 73.31 110.959 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.29 -20.15 57.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 64.21 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -4.17 27.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 74.23 110.284 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.534 ' O ' HD23 ' A' ' 40' ' ' LEU . 11.3 m-20 -107.7 4.39 25.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 71.31 109.279 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.552 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.28 -49.53 84.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 73.21 109.326 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.0 -2.07 12.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 64.34 110.975 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 18.0 mtm180 -97.22 -40.55 8.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 64.43 110.293 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.701 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -69.39 -26.26 64.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 73.11 109.313 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.553 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.17 131.45 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 73.45 109.319 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER 86.8 -14.31 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 73.53 110.043 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -100.3 128.59 46.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 51.42 111.03 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.3 mt-30 -79.28 179.04 7.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 65.54 110.248 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.539 ' CG1' HD21 ' A' ' 17' ' ' LEU . 6.7 m -111.7 144.74 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 72.44 109.369 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' CB ' ' HD3' ' A' ' 61' ' ' LYS . 18.8 p30 -92.69 28.69 1.96 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 74.21 109.275 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.95 ' HA ' HD12 ' A' ' 13' ' ' ILE . 41.0 tt0 -178.98 148.68 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 73.53 110.273 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.408 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -67.31 106.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.31 109.259 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 47' ' ' GLN . 12.6 t -108.56 101.76 44.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 62.43 109.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 53' ' ' THR . 18.2 Cg_endo -75.01 158.8 41.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 74.41 110.985 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.431 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 15.6 ttp -50.1 145.33 5.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 73.05 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.85 -8.73 61.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 74.05 110.991 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.478 ' HB ' HG12 ' A' ' 49' ' ' VAL . 38.8 m -83.65 112.13 19.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 73.41 110.347 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.843 ' OG1' HG21 ' A' ' 27' ' ' VAL . 99.3 m -49.76 144.52 6.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 74.24 110.364 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.673 HD23 HG12 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -85.7 132.38 34.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 71.24 109.329 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.714 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.3 mmt -120.58 153.23 56.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 53.31 111.038 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.98 -8.03 19.72 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.767 . . . . 63.23 111.023 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.66 9.12 35.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 73.24 109.3 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.529 ' HE2' ' H ' ' A' ' 56' ' ' MET . 30.6 mtm -120.92 11.91 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 71.34 111.0 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.701 HG11 ' CD1' ' A' ' 40' ' ' LEU . 99.3 t -124.96 134.23 67.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 61.13 109.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.411 ' HD3' ' CB ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -86.61 149.46 24.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 65.21 109.278 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.83 16.15 22.93 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.521 1.138 . . . . 52.25 110.994 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 71.0 t80 -78.79 174.58 11.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 70.23 110.975 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.547 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 176.03 158.34 0.42 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 73.23 109.335 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.538 1.809 . . . . 72.11 110.987 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 52.25 109.288 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.56 0.219 . . . . 65.25 110.936 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -118.12 107.8 14.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 65.12 109.29 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.51 112.9 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 73.53 110.298 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -101.67 112.52 25.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 72.4 110.269 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.9 m -101.26 152.37 20.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 72.04 109.998 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.535 HG11 ' CD2' ' A' ' 55' ' ' LEU . 79.1 t -61.89 135.51 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 74.32 109.333 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.704 ' O ' HG22 ' A' ' 23' ' ' THR . 52.6 t -131.76 126.03 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 62.13 109.309 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.07 105.4 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 64.21 109.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.25 -26.7 68.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 71.15 109.329 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.486 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 4.3 pt20 -156.5 172.44 18.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 65.25 110.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 50' ' ' PRO . 15.0 tp -50.61 131.58 25.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 70.42 109.243 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.706 HD11 ' O ' ' A' ' 21' ' ' MET . 19.7 mt -135.82 103.57 10.0 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 51.42 109.256 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.715 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.6 Cg_endo -74.93 173.3 14.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 60.24 111.016 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.894 HD12 ' HA ' ' A' ' 47' ' ' GLN . 3.7 tt -69.22 134.92 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 74.41 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 5.7 m-20 74.75 31.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 74.44 109.337 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.715 HG21 ' HD2' ' A' ' 12' ' ' PRO . 19.1 m -102.33 109.58 21.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 74.22 110.452 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 18' ' ' THR . . . -54.36 108.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 51.32 109.265 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.462 HD13 ' HB3' ' A' ' 40' ' ' LEU . 62.8 mt -56.2 147.34 20.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 72.23 109.312 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 16' ' ' ALA . 18.7 p -143.47 162.12 36.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 72.13 110.401 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.543 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.8 tp -66.31 -11.11 48.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 71.43 109.275 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -100.72 -0.55 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 75.31 109.297 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.706 ' O ' HD11 ' A' ' 11' ' ' ILE . 28.0 mtm -124.8 9.15 8.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 70.53 111.003 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.41 ' CE ' HG12 ' A' ' 41' ' ' ILE . 77.1 mtm -137.71 155.49 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 74.45 111.004 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.8 t -161.24 -170.84 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 63.12 110.426 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.437 ' N ' ' OG1' ' A' ' 23' ' ' THR . 18.7 p -125.92 148.44 49.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 71.42 110.382 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -177.32 135.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 73.13 110.275 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.03 93.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 74.22 109.272 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.821 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.4 m -113.73 164.79 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 61.14 109.343 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.438 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.2 t -138.03 130.77 16.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 74.22 110.018 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.438 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -75.0 162.89 91.96 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.969 -2.513 . . . . 75.51 111.069 -0.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -79.01 150.4 31.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 73.11 110.416 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.547 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -127.56 -144.54 5.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 70.03 111.03 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.687 HD11 ' O ' ' A' ' 56' ' ' MET . 68.4 mt -43.06 139.74 2.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 74.02 109.258 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.96 145.69 31.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 53.4 111.056 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.38 -20.62 60.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 73.24 109.299 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.03 -5.22 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 74.32 110.309 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.542 ' O ' HD23 ' A' ' 40' ' ' LEU . 12.6 m-20 -105.91 5.77 30.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 75.22 109.272 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.552 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.3 -49.68 83.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 73.22 109.276 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.94 -2.23 12.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 72.34 111.011 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.432 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 17.8 mtm180 -97.22 -39.15 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 71.21 110.317 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.758 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -70.79 -26.02 63.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 54.5 109.285 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.22 130.96 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 51.25 109.319 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER 86.68 -14.26 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 64.01 110.004 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -100.04 130.73 46.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 64.31 111.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.409 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.7 mt-30 -83.82 178.17 8.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.23 110.256 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.556 HG21 HG22 ' A' ' 11' ' ' ILE . 8.1 m -108.78 146.39 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 72.34 109.322 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.438 ' CB ' ' HD3' ' A' ' 61' ' ' LYS . 17.1 p30 -94.06 27.1 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 74.44 109.309 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.894 ' HA ' HD12 ' A' ' 13' ' ' ILE . 41.5 tt0 -176.58 149.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 74.21 110.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 12' ' ' PRO . 3.1 t -67.13 102.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 71.54 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 47' ' ' GLN . 3.0 t -104.0 106.15 51.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 62.14 109.287 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.522 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.03 162.27 37.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 63.21 111.007 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.486 ' HE2' ' HA ' ' A' ' 9' ' ' GLN . 30.5 ttm -61.19 143.1 56.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 71.11 111.044 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 86.17 -10.4 66.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 71.21 111.016 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.7 m -85.89 116.77 24.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 74.1 110.413 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.821 ' OG1' HG21 ' A' ' 27' ' ' VAL . 62.0 m -49.52 143.12 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 71.34 110.387 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.535 ' CD2' HG11 ' A' ' 5' ' ' VAL . 9.9 tp -90.9 133.05 35.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 72.43 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.699 ' H ' ' HE2' ' A' ' 59' ' ' MET . 5.8 mmt -116.46 158.11 44.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.22 110.974 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.607 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.04 -8.37 19.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.494 1.786 . . . . 73.02 111.012 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -102.9 8.24 39.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 72.14 109.328 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.699 ' HE2' ' H ' ' A' ' 56' ' ' MET . 43.9 mtm -120.61 15.48 11.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 62.11 110.97 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.758 HG11 ' CD1' ' A' ' 40' ' ' LEU . 88.9 t -128.14 133.16 67.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 60.42 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' HD3' ' CB ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -85.98 149.29 25.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 71.21 109.275 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.83 16.04 29.77 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.472 1.108 . . . . 73.12 110.997 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 68.6 t80 -81.05 174.95 11.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 65.24 110.967 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.572 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 173.79 159.06 0.31 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 75.14 109.305 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 61.43 110.985 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 75.21 109.268 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.4 ' C ' ' CG ' ' A' ' 1' ' ' ASN . 7.1 mtm . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.53 0.205 . . . . 75.12 110.957 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.4 ' CG ' ' C ' ' A' ' 0' ' ' MET . 1.0 OUTLIER -162.67 106.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 74.42 109.289 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -48.21 109.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 64.04 110.304 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -90.64 118.15 29.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 53.4 110.317 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.8 m -102.98 154.04 19.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 72.23 109.984 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.855 ' CG1' HD12 ' A' ' 55' ' ' LEU . 81.7 t -63.14 135.42 27.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 64.22 109.316 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.673 ' O ' HG22 ' A' ' 23' ' ' THR . 47.5 t -130.43 125.85 60.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 54.22 109.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.84 106.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 73.44 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.98 -25.11 67.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 73.21 109.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.416 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 4.6 pt20 -156.92 178.1 10.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 75.25 110.299 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 50' ' ' PRO . 7.1 tp -58.37 122.87 14.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 71.42 109.29 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.494 HG23 ' HE3' ' A' ' 21' ' ' MET . 0.9 OUTLIER -122.17 105.24 37.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 75.4 109.305 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.794 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.01 169.12 23.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.783 . . . . 65.3 110.996 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 47' ' ' GLN . 8.2 tt -66.6 138.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 71.55 109.264 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 67.03 40.26 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 52.54 109.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.794 HG21 ' HD2' ' A' ' 12' ' ' PRO . 20.0 m -109.69 113.62 26.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 64.11 110.37 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.423 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -55.68 111.35 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 22.22 109.292 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.686 HD13 ' HB3' ' A' ' 40' ' ' LEU . 82.2 mt -57.54 147.02 28.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 72.5 109.346 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -142.6 160.68 39.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 73.15 110.404 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.538 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.3 tp -66.54 -11.91 55.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 75.03 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.06 1.8 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 73.31 109.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.494 ' HE3' HG23 ' A' ' 11' ' ' ILE . 17.0 mtm -125.32 9.24 7.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 70.32 110.976 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.5 mtm -139.94 154.87 47.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 53.05 110.983 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 6' ' ' VAL . 10.1 t -160.72 -172.13 3.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 74.52 110.393 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.418 ' N ' ' OG1' ' A' ' 23' ' ' THR . 19.7 p -123.65 149.44 45.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 71.32 110.371 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 179.67 135.5 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 74.33 110.287 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 t -67.83 106.35 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 60.32 109.271 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.838 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.1 m -128.01 165.26 27.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 74.03 109.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.481 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.9 t -139.06 130.82 15.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 53.51 109.989 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 162.77 92.18 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.013 -2.495 . . . . 71.2 110.989 -0.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p -79.67 150.29 30.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 75.1 110.456 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.55 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.27 -145.9 6.47 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 73.12 110.978 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.769 HG21 HD21 ' A' ' 40' ' ' LEU . 26.4 mt -44.6 140.11 3.31 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.557 0.798 . . . . 72.35 109.279 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.637 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.97 147.4 33.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.45 1.763 . . . . 74.11 111.044 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.15 -19.66 54.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 74.23 109.297 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.41 -4.61 27.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 72.31 110.275 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.537 ' O ' HD23 ' A' ' 40' ' ' LEU . 11.2 m-20 -107.5 5.52 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 70.24 109.335 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.96 -49.28 88.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 74.44 109.31 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -1.56 11.38 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 63.32 111.012 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.432 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 18.1 mtm180 -97.53 -43.41 7.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 74.02 110.281 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.769 HD21 HG21 ' A' ' 32' ' ' ILE . 3.9 mm? -65.37 -32.14 73.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 72.15 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 42' ' ' SER . 1.5 mm -46.63 128.99 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 74.24 109.323 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.8 m 90.11 -35.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 61.24 109.943 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.445 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 3.5 mmm -74.72 132.4 41.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 44.32 110.997 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 8.5 mt-30 -87.86 164.31 15.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 64.23 110.31 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.433 ' CG1' HD21 ' A' ' 17' ' ' LEU . 17.0 m -94.58 141.38 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 74.3 109.332 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 21.6 p30 -92.42 32.03 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 61.13 109.289 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 49' ' ' VAL . 42.2 tt0 178.29 149.21 0.2 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 64.14 110.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -64.52 102.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 60.42 109.328 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 47' ' ' GLN . 53.6 t -106.9 103.45 47.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 73.1 109.305 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.95 169.82 21.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 70.41 111.036 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.9 ttp -65.77 149.94 49.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 71.01 111.013 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.21 -4.55 62.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 72.24 111.027 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.8 m -93.09 115.59 28.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 74.42 110.399 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.838 ' OG1' HG21 ' A' ' 27' ' ' VAL . 61.6 m -49.58 144.18 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 60.35 110.359 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.855 HD12 ' CG1' ' A' ' 5' ' ' VAL . 5.1 mt -91.08 135.58 33.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 73.35 109.275 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.711 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.9 mmt -119.58 157.39 51.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 73.52 110.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -9.4 20.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 73.23 111.048 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.15 12.94 35.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 51.55 109.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.9 mtm -120.88 4.51 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 75.44 110.977 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.653 HG21 ' CD1' ' A' ' 40' ' ' LEU . 42.5 t -114.66 143.24 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 53.33 109.25 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -88.94 146.25 25.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 65.12 109.289 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.0 28.44 17.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 72.22 111.013 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 50.6 t80 -88.34 174.31 8.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 73.22 110.992 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.65 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.48 161.87 0.35 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 71.41 109.263 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.429 ' HD2' ' HB1' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.05 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 72.31 110.966 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 70.33 109.286 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 1' ' ' ASN . 11.0 ttm . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.491 0.186 . . . . 71.25 111.018 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 0' ' ' MET . 0.4 OUTLIER -39.64 109.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.153 . . . . 70.03 109.314 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -91.99 101.8 14.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 71.44 110.269 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -72.54 112.37 8.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 73.02 110.29 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -100.11 147.11 26.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 60.11 109.997 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.602 HG12 ' HB2' ' A' ' 55' ' ' LEU . 77.1 t -59.22 139.46 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 75.41 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.616 ' O ' HG22 ' A' ' 23' ' ' THR . 42.4 t -138.81 124.35 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 75.31 109.32 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -44.1 106.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 60.54 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.11 -26.37 68.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 64.4 109.307 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.484 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 2.8 pt20 -157.17 174.68 15.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 63.43 110.335 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 50' ' ' PRO . 9.3 tp -55.12 119.61 5.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 75.34 109.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.892 HD11 ' O ' ' A' ' 21' ' ' MET . 16.2 mt -121.57 109.57 34.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 62.53 109.251 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.851 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.03 172.19 16.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 63.14 111.009 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.9 tt -73.63 139.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 72.12 109.312 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 70.01 32.68 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 72.44 109.308 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.851 HG21 ' HD2' ' A' ' 12' ' ' PRO . 31.4 m -107.23 111.92 24.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 73.03 110.393 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.414 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.71 108.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 70.4 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.462 HD13 ' HB3' ' A' ' 40' ' ' LEU . 60.5 mt -54.0 149.61 8.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 62.44 109.315 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 p -143.55 161.44 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 73.01 110.427 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 13.0 tp -66.08 -14.47 61.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 62.53 109.325 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -97.91 2.28 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 55.51 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.892 ' O ' HD11 ' A' ' 11' ' ' ILE . 13.8 mtm -125.64 4.01 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 63.03 110.976 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -136.42 157.51 46.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 71.32 110.989 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 6' ' ' VAL . 14.3 t -162.03 -159.65 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 73.32 110.392 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.0 p -133.41 153.81 51.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 54.34 110.397 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.9 tmt_? 177.33 129.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 75.31 110.304 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.98 100.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 64.13 109.294 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.79 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.9 m -120.43 165.71 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 60.35 109.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.435 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.26 130.18 15.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 75.41 110.015 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.435 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.95 164.31 88.66 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.02 -2.492 . . . . 65.24 110.965 -0.003 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 p -80.39 147.27 31.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 73.33 110.378 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -122.94 -140.49 5.71 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.455 1.097 . . . . 73.44 110.974 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.696 HD11 ' O ' ' A' ' 56' ' ' MET . 65.9 mt -47.43 139.54 7.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.583 0.814 . . . . 71.2 109.31 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.593 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.02 144.65 30.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.456 1.767 . . . . 75.41 110.984 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.91 -20.55 57.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 42.51 109.257 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.26 -4.78 27.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 43.22 110.304 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.544 ' O ' HD23 ' A' ' 40' ' ' LEU . 13.8 m-20 -106.1 5.8 30.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 65.12 109.334 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.538 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.99 -50.3 79.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 71.42 109.338 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.02 -1.95 11.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.548 1.815 . . . . 62.15 110.982 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 16.4 mtm180 -97.24 -39.02 9.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 72.23 110.313 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.69 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -70.32 -26.56 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 53.4 109.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -55.96 131.63 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 74.21 109.293 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.6 m 85.9 -14.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 54.02 110.003 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.8 mtm -99.03 127.24 44.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 74.33 111.0 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.414 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.5 mt-30 -79.7 -179.27 6.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 65.31 110.324 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.449 ' CG1' HD21 ' A' ' 17' ' ' LEU . 6.2 m -112.15 153.78 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 70.34 109.253 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 15.6 p30 -102.07 25.08 9.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 70.5 109.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.742 ' O ' HG23 ' A' ' 49' ' ' VAL . 40.5 tt0 -177.08 146.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 75.34 110.306 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 12' ' ' PRO . 2.5 t -61.76 106.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 71.03 109.279 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 47' ' ' GLN . 15.9 t -106.75 103.99 49.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 65.33 109.295 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.5 Cg_endo -74.99 165.93 30.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 74.45 111.014 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.484 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 34.5 ttm -63.77 145.47 55.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 72.32 110.969 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 83.57 -9.22 62.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 63.51 111.044 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.8 m -85.54 118.33 25.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 73.23 110.39 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.79 ' OG1' HG21 ' A' ' 27' ' ' VAL . 68.7 m -49.68 144.51 6.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 70.14 110.376 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.602 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -88.96 128.19 35.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 65.22 109.291 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.696 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.9 mmt -111.9 152.91 44.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 60.01 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.02 -12.37 21.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 72.32 111.004 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.31 11.37 36.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 74.15 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.613 ' HE2' ' H ' ' A' ' 56' ' ' MET . 23.1 mtm -119.01 8.95 11.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 70.2 111.046 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.69 HG11 ' CD1' ' A' ' 40' ' ' LEU . 97.1 t -122.78 135.32 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 71.33 109.303 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.487 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.8 mtpp -89.86 135.29 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 73.31 109.283 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.49 17.61 80.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.436 1.085 . . . . 73.14 110.975 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 65.6 t80 -88.36 174.64 8.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 0.729 . . . . 64.53 110.985 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.62 161.24 0.22 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 70.31 109.279 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.98 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 65.44 110.994 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 54.31 109.335 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.2 ptt? . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.501 0.191 . . . . 74.53 110.992 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -133.06 133.47 43.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 74.21 109.293 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -72.55 112.17 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.586 1.179 . . . . 54.15 110.334 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.29 114.99 24.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 73.44 110.296 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.6 m -102.35 151.9 21.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 52.41 110.02 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.622 HG11 HD22 ' A' ' 55' ' ' LEU . 71.9 t -61.81 134.28 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 74.23 109.293 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.538 ' O ' HG22 ' A' ' 23' ' ' THR . 59.0 t -131.36 127.16 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 23.33 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.447 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -52.19 105.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 64.1 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.62 -25.62 68.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 72.41 109.312 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.435 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 3.3 pt20 -152.43 172.19 16.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 73.12 110.269 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 50' ' ' PRO . 8.2 tp -53.99 133.56 43.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 54.32 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.606 HD11 ' O ' ' A' ' 21' ' ' MET . 19.9 mt -135.77 106.66 9.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 72.33 109.273 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.723 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.05 173.01 15.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 53.53 110.978 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.859 HD12 ' HA ' ' A' ' 47' ' ' GLN . 4.3 tt -69.33 135.93 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 73.32 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.498 ' ND2' HG23 ' A' ' 13' ' ' ILE . 7.7 m-80 73.66 31.96 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 61.43 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.723 HG21 ' HD2' ' A' ' 12' ' ' PRO . 19.0 m -102.2 109.72 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 71.41 110.406 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -54.82 109.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 32.51 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.487 HD21 ' CG1' ' A' ' 45' ' ' VAL . 52.1 mt -55.6 148.27 16.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 74.11 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 p -143.65 162.15 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 55.32 110.41 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.4 tp -66.4 -11.9 54.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 55.11 109.304 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -100.15 0.63 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 70.22 109.297 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.606 ' O ' HD11 ' A' ' 11' ' ' ILE . 19.9 mtm -125.59 6.32 7.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 73.3 111.022 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.444 ' HE3' HG12 ' A' ' 41' ' ' ILE . 77.9 mtm -137.92 157.96 45.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 62.14 111.035 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 6' ' ' VAL . 15.2 t -161.65 -151.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 75.24 110.382 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.498 ' N ' HG23 ' A' ' 23' ' ' THR . 25.3 p -143.69 149.42 37.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 63.35 110.399 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -178.76 144.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 74.11 110.265 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -75.74 100.43 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 74.45 109.286 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.673 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.4 m -122.18 165.77 17.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 62.4 109.293 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.482 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -139.79 130.83 14.45 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 25.34 109.963 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.01 163.13 91.44 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.017 -2.493 . . . . 51.34 110.949 0.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 p -77.73 149.54 34.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 72.52 110.408 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.613 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -127.28 -147.06 6.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 62.41 110.98 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.879 HG21 HD21 ' A' ' 40' ' ' LEU . 30.1 mt -40.24 139.21 1.07 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 72.1 109.285 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.0 144.98 30.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.764 . . . . 62.03 110.995 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.61 -19.21 57.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 45.14 109.236 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.37 -2.52 25.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 72.41 110.304 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.529 ' O ' HD23 ' A' ' 40' ' ' LEU . 21.5 m-20 -109.46 7.75 24.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 55.31 109.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.539 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -49.63 -49.99 69.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 52.45 109.331 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.04 -9.49 20.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 75.01 110.969 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.426 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 10.0 mtm180 -88.12 -36.56 16.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 74.55 110.313 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.879 HD21 HG21 ' A' ' 32' ' ' ILE . 4.0 mm? -73.85 -27.05 60.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 71.24 109.329 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -55.95 131.76 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 63.52 109.27 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.2 m 86.62 -14.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 44.31 110.01 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -99.36 129.86 45.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 74.43 110.981 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.0 mt-30 -83.32 178.48 8.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 71.03 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.536 HG21 HG22 ' A' ' 11' ' ' ILE . 13.1 m -109.85 142.44 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 64.34 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.56 HD22 ' HA ' ' A' ' 59' ' ' MET . 0.8 OUTLIER -92.23 33.88 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 71.22 109.246 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.859 ' HA ' HD12 ' A' ' 13' ' ' ILE . 42.0 tt0 177.49 149.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 63.54 110.277 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.414 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -66.58 104.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 73.52 109.334 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 47' ' ' GLN . 3.2 t -107.85 102.45 45.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 63.53 109.303 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.626 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.2 Cg_endo -74.97 162.54 37.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 71.22 111.003 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.435 ' HE2' ' HA ' ' A' ' 9' ' ' GLN . 31.3 ttm -57.29 143.6 38.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 72.33 111.017 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.411 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 84.93 -4.63 84.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 64.25 111.037 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.2 m -91.1 116.34 28.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.763 . . . . 73.33 110.426 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.673 ' OG1' HG21 ' A' ' 27' ' ' VAL . 90.6 m -49.98 144.63 6.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 71.43 110.374 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.622 HD22 HG11 ' A' ' 5' ' ' VAL . 8.2 tp -91.59 133.43 35.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 62.11 109.352 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.809 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.3 mmt -119.64 158.08 50.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 72.14 110.96 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.59 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.97 -9.2 20.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.537 1.809 . . . . 71.32 110.97 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -103.66 10.08 36.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 75.51 109.28 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.56 ' HA ' HD22 ' A' ' 46' ' ' ASN . 35.7 mtm -119.64 8.81 11.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 52.22 111.007 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.625 HG21 HD12 ' A' ' 40' ' ' LEU . 52.4 t -124.07 132.07 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 63.21 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -84.96 149.4 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 74.21 109.315 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.96 12.22 35.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 73.44 110.931 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.608 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 61.8 t80 -79.96 174.61 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 0.735 . . . . 71.52 111.056 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.608 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.58 158.45 0.34 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 72.52 109.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 71.55 111.019 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 63.45 109.267 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.509 0.195 . . . . 73.44 110.988 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -102.37 133.22 47.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 54.52 109.301 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -90.39 111.46 22.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 72.21 110.299 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.53 114.86 23.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 74.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.5 m -101.26 154.43 18.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 74.53 109.958 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.472 HG11 HD22 ' A' ' 55' ' ' LEU . 71.6 t -63.9 135.46 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 73.32 109.267 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.71 ' O ' HG22 ' A' ' 23' ' ' THR . 47.5 t -131.54 125.56 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 53.3 109.261 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.542 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -48.54 105.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 63.54 109.307 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.31 -26.46 68.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 74.42 109.291 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.477 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 4.7 pt20 -154.57 176.17 12.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 65.15 110.328 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 50' ' ' PRO . 9.3 tp -58.69 114.27 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 74.1 109.307 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.808 HD11 ' O ' ' A' ' 21' ' ' MET . 9.7 mt -113.81 108.1 51.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 75.34 109.293 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.876 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.1 Cg_endo -75.04 165.25 31.66 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 72.22 111.012 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.417 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.3 tt -68.72 139.98 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 73.53 109.354 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 70.5 28.96 3.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 75.22 109.289 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.876 HG21 ' HD2' ' A' ' 12' ' ' PRO . 28.6 m -105.36 112.39 25.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 75.05 110.357 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.1 109.12 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 71.11 109.263 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.454 HD13 ' HB3' ' A' ' 40' ' ' LEU . 64.3 mt -55.05 149.08 12.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 75.4 109.316 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 p -142.61 161.64 37.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 65.2 110.419 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.8 tp -66.15 -12.78 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 72.32 109.286 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.6 m -99.46 1.12 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 60.32 109.28 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.808 ' O ' HD11 ' A' ' 11' ' ' ILE . 16.9 mtm -125.67 10.83 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 75.44 111.028 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.1 mtm -140.74 157.43 45.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 75.4 110.979 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.71 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.2 t -161.97 -167.51 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 70.21 110.427 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.436 ' N ' ' OG1' ' A' ' 23' ' ' THR . 25.8 p -128.62 151.33 49.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 61.1 110.402 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 177.86 136.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 71.4 110.331 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -70.2 105.16 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 71.02 109.302 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.712 HG21 ' OG1' ' A' ' 54' ' ' THR . 13.5 m -126.56 166.49 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 74.11 109.274 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.476 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.6 t -139.36 130.64 14.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 74.42 110.01 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.97 162.71 92.31 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.011 -2.495 . . . . 40.45 110.982 -0.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -80.51 149.76 29.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 74.13 110.419 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.622 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -125.63 -145.41 6.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.117 . . . . 71.51 111.017 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.756 HG21 HD21 ' A' ' 40' ' ' LEU . 69.9 mt -44.17 139.86 3.04 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 55.32 109.301 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.62 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.04 147.36 33.66 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 64.43 111.006 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.02 -19.74 54.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 52.33 109.278 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.7 -4.51 27.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 63.44 110.281 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.526 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.0 m-20 -106.19 4.84 29.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 72.12 109.314 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.543 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.95 -49.96 80.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 73.51 109.337 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -1.44 11.23 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 63.45 111.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 67.8 mtp180 -97.54 -41.15 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 74.52 110.247 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.854 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -68.46 -26.44 65.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 74.35 109.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.14 130.4 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 74.51 109.311 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 87.23 -15.69 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 53.22 109.943 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 1.5 mtm -99.13 129.69 45.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 44.14 110.978 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.8 mt-30 -80.89 177.82 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 61.4 110.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.516 HG21 HG22 ' A' ' 11' ' ' ILE . 3.0 m -108.34 143.0 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 72.13 109.272 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.673 HD22 ' HA ' ' A' ' 59' ' ' MET . 0.7 OUTLIER -92.62 32.79 1.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 74.14 109.295 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.702 ' O ' HG23 ' A' ' 49' ' ' VAL . 41.0 tt0 175.75 148.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 75.34 110.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.412 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.9 t -64.2 106.95 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 45.13 109.287 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 47' ' ' GLN . 11.9 t -108.83 101.7 45.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 75.01 109.277 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.438 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -74.99 162.68 36.74 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 72.41 110.957 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.477 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 32.0 ttm -59.82 143.53 50.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 61.4 110.987 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 85.45 -9.97 65.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.566 1.166 . . . . 71.13 110.988 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.9 m -87.56 115.05 24.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 54.21 110.409 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.712 ' OG1' HG21 ' A' ' 27' ' ' VAL . 39.1 m -49.73 144.46 6.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 64.14 110.38 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.472 HD22 HG11 ' A' ' 5' ' ' VAL . 10.0 tp -91.76 135.84 33.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 74.25 109.29 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.723 ' O ' HD11 ' A' ' 32' ' ' ILE . 11.2 mmt -117.94 158.69 45.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 53.14 111.004 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.97 -8.6 20.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 74.5 111.007 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.91 1.65 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 65.22 109.336 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.673 ' HA ' HD22 ' A' ' 46' ' ' ASN . 34.3 mtm -111.26 9.67 21.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 71.14 110.965 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.854 HG11 ' CD1' ' A' ' 40' ' ' LEU . 86.6 t -124.29 134.5 66.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 42.14 109.299 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.428 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -88.16 150.03 23.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 73.43 109.284 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.43 14.3 33.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 64.01 111.026 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.691 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 53.2 t80 -83.73 173.6 11.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 73.41 111.011 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 162.25 159.28 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 55.25 109.269 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.03 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.47 1.774 . . . . 74.43 110.965 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 43.13 109.295 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.474 0.178 . . . . 74.14 111.019 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.7 ' ND2' HG11 ' A' ' 26' ' ' VAL . 11.9 t-20 -119.22 135.93 54.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 72.14 109.311 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.33 109.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 72.04 110.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -98.06 112.32 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 74.2 110.305 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.472 ' O ' HG23 ' A' ' 6' ' ' VAL . 13.2 m -100.9 149.66 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 61.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.578 HG12 ' HB2' ' A' ' 55' ' ' LEU . 60.3 t -59.2 140.19 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 74.01 109.274 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.707 ' O ' HG22 ' A' ' 23' ' ' THR . 57.4 t -136.55 128.48 44.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 75.42 109.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.3 105.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 73.34 109.288 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.22 -27.4 69.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 70.31 109.287 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.34 -174.59 4.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 73.15 110.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 6.8 tp -71.58 104.72 3.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 74.43 109.302 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.969 HD11 ' O ' ' A' ' 21' ' ' MET . 22.5 mt -101.6 109.98 60.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 52.23 109.253 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.885 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.04 170.68 19.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.459 1.768 . . . . 54.13 110.982 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 47' ' ' GLN . 6.7 tt -70.92 144.66 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 70.13 109.324 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 m120 60.96 36.11 18.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 72.03 109.286 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.885 HG21 ' HD2' ' A' ' 12' ' ' PRO . 48.2 m -110.89 110.88 21.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 64.44 110.382 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -50.5 111.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 54.14 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.437 HD21 ' CG1' ' A' ' 45' ' ' VAL . 61.4 mt -57.52 150.14 19.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 61.43 109.31 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 p -143.51 161.29 38.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 73.44 110.387 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.534 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 8.0 tp -65.38 -17.79 64.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 75.04 109.349 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.79 1.28 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 64.4 109.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.969 ' O ' HD11 ' A' ' 11' ' ' ILE . 43.9 mtm -125.51 5.9 7.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 71.21 111.042 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 67.4 mtm -135.17 157.27 47.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 74.25 110.967 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.707 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.8 t -161.72 -170.11 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 51.42 110.415 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.443 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.6 p -125.41 151.26 46.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 54.51 110.392 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.1 tmt_? 179.11 129.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 72.14 110.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.7 HG11 ' ND2' ' A' ' 1' ' ' ASN . 3.0 t -67.15 90.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 73.42 109.261 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.826 HG21 ' OG1' ' A' ' 54' ' ' THR . 13.6 m -108.61 165.44 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 75.24 109.325 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.436 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 6.3 t -137.32 130.49 17.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 62.03 110.006 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.94 162.8 92.09 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.04 -2.484 . . . . 75.13 110.997 -0.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -77.34 149.29 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 74.41 110.427 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.75 -143.6 5.88 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.466 1.104 . . . . 72.35 110.995 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.705 HD11 ' O ' ' A' ' 56' ' ' MET . 67.1 mt -43.82 139.73 2.79 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 63.34 109.346 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.62 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -74.99 144.06 29.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.791 . . . . 43.25 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -19.82 55.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 63.1 109.262 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -3.64 25.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 52.4 110.285 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.9 m-20 -108.28 5.56 25.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 64.12 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -50.07 -49.63 74.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 74.11 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.05 -8.64 20.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.511 1.795 . . . . 64.34 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 15.5 mtm180 -89.15 -37.87 14.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 73.42 110.319 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.756 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -72.64 -26.28 61.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 73.3 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.27 131.32 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 75.02 109.329 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER 86.05 -13.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 71.35 109.987 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -99.82 127.04 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 74.52 110.989 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.1 mt-30 -77.96 179.48 6.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 54.43 110.277 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.598 HG21 HG22 ' A' ' 11' ' ' ILE . 2.9 m -112.18 143.8 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 71.52 109.305 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 46' ' ' ASN . 24.2 p30 -92.65 32.55 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 74.25 109.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.85 ' HA ' HD12 ' A' ' 13' ' ' ILE . 41.3 tt0 176.04 149.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 72.23 110.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.415 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -66.2 106.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 60.22 109.273 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 47' ' ' GLN . 15.9 t -109.23 101.05 43.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 74.11 109.35 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 10' ' ' LEU . 18.4 Cg_endo -75.0 166.96 28.1 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.486 1.782 . . . . 44.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.7 ttp -61.04 147.43 43.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 74.34 111.015 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.3 -9.86 60.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 33.13 111.012 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.3 m -87.12 115.37 24.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 60.21 110.382 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.826 ' OG1' HG21 ' A' ' 27' ' ' VAL . 97.0 m -49.55 144.29 6.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 73.42 110.423 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.578 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -87.26 130.19 34.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 62.54 109.268 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.705 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.9 mmt -116.29 154.17 48.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 64.52 110.975 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.01 -11.81 21.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.555 1.818 . . . . 72.32 111.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -100.94 10.36 41.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 73.15 109.28 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.62 ' HE2' ' H ' ' A' ' 56' ' ' MET . 35.4 mtm -120.77 9.37 10.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 72.04 111.006 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.756 HG11 ' CD1' ' A' ' 40' ' ' LEU . 94.7 t -122.67 132.93 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 70.11 109.312 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.455 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -85.36 149.08 25.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 75.13 109.3 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.17 14.53 33.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.547 1.154 . . . . 54.21 110.97 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 69.2 t80 -80.68 174.96 11.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 0.761 . . . . 74.54 111.008 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.565 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 171.77 158.88 0.24 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 42.51 109.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 62.13 111.002 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 63.44 109.268 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.9 ptp . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.515 0.198 . . . . 74.34 110.98 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -126.3 114.94 18.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 73.33 109.326 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -57.31 113.11 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 63.11 110.294 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -91.46 113.7 26.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 73.3 110.278 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 m -101.28 149.8 23.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 70.45 109.961 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.57 HG12 ' HB2' ' A' ' 55' ' ' LEU . 62.5 t -59.28 139.39 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 60.42 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.704 ' O ' HG22 ' A' ' 23' ' ' THR . 58.4 t -136.37 128.93 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 70.22 109.316 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.443 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -49.24 105.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 75.12 109.304 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.18 -26.48 68.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 71.43 109.306 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.462 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 4.2 pt20 -156.52 175.13 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 72.35 110.306 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tp -55.84 118.08 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 61.44 109.269 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.853 HD11 ' O ' ' A' ' 21' ' ' MET . 13.0 mt -120.05 108.03 39.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.088 . . . . 70.11 109.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.859 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.02 172.06 17.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 70.35 111.013 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.885 HD12 ' HA ' ' A' ' 47' ' ' GLN . 13.1 tt -73.4 140.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 73.24 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 69.77 30.6 3.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 72.15 109.304 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.859 HG21 ' HD2' ' A' ' 12' ' ' PRO . 37.1 m -105.91 112.75 25.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 53.14 110.392 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.72 112.14 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 72.41 109.244 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.78 ' CD1' HD12 ' A' ' 40' ' ' LEU . 68.9 mt -57.31 149.22 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 54.22 109.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 p -142.39 160.83 39.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 75.31 110.413 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HB2' HD11 ' A' ' 41' ' ' ILE . 12.0 tp -66.42 -11.12 50.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 73.12 109.302 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.57 2.37 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 43.14 109.34 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.853 ' O ' HD11 ' A' ' 11' ' ' ILE . 23.3 mtm -125.52 8.75 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 71.02 111.023 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.417 ' SD ' ' CB ' ' A' ' 40' ' ' LEU . 77.9 mtm -137.63 156.63 47.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 74.42 111.019 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.5 t -161.09 -167.19 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 72.33 110.421 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.437 ' N ' ' OG1' ' A' ' 23' ' ' THR . 24.9 p -127.93 152.38 47.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 62.54 110.383 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 178.02 132.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 62.42 110.294 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.84 91.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 74.44 109.31 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.82 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.8 m -110.19 165.03 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 70.23 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.433 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 4.1 t -137.52 130.66 17.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 62.14 110.017 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.93 162.59 92.51 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.048 -2.48 . . . . 72.41 111.017 -0.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -75.82 151.25 37.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 73.21 110.379 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.98 -143.98 5.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 64.51 111.034 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.682 HG23 ' HD2' ' A' ' 33' ' ' PRO . 91.0 mt -45.65 141.24 4.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 75.12 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.96 149.82 37.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.802 . . . . 70.11 111.024 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.25 -15.43 47.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 70.12 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.81 -6.04 50.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 71.42 110.298 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.562 ' O ' HD23 ' A' ' 40' ' ' LEU . 16.4 m-20 -102.52 -3.13 27.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 63.44 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.538 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -44.67 -50.04 25.24 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 70.12 109.299 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.98 -17.62 19.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 62.31 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.464 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 67.0 mtp180 -79.99 -30.31 39.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 75.54 110.36 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.934 HD11 HG21 ' A' ' 60' ' ' VAL . 3.5 mm? -78.23 -29.84 48.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 74.54 109.268 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.2 mm -50.79 127.17 6.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 72.21 109.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.7 p 89.92 -29.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 52.22 110.026 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.412 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 2.3 mtm -84.46 130.17 34.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 74.34 111.017 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.5 mt-30 -83.01 -179.0 7.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 63.11 110.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.619 HG21 HG22 ' A' ' 11' ' ' ILE . 2.5 m -111.02 143.21 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 74.21 109.258 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -92.39 31.85 1.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 62.23 109.328 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.885 ' HA ' HD12 ' A' ' 13' ' ' ILE . 42.3 tt0 177.29 149.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 71.23 110.323 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.409 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.9 t -66.65 104.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 71.31 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 47' ' ' GLN . 11.7 t -106.74 104.48 51.46 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 51.04 109.303 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.76 28.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 64.44 110.978 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 34.8 ttm -61.85 145.39 52.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 72.35 111.0 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.415 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 84.29 -11.53 57.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 51.42 111.008 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.4 m -82.66 117.29 22.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 0.723 . . . . 61.14 110.403 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.82 ' OG1' HG21 ' A' ' 27' ' ' VAL . 99.8 m -49.67 144.12 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 62.3 110.413 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.57 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -88.45 125.63 34.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 72.4 109.329 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.636 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.9 mmt -110.79 154.45 43.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 73.03 111.003 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.604 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.1 Cg_endo -75.02 -15.4 20.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 73.01 110.989 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -99.92 12.34 37.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 74.42 109.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.636 ' HE2' ' H ' ' A' ' 56' ' ' MET . 27.0 mtm -120.94 10.76 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 63.23 111.006 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.934 HG21 HD11 ' A' ' 40' ' ' LEU . 45.4 t -125.87 136.93 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 72.24 109.314 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.437 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -89.89 142.83 27.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.42 109.297 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.21 15.21 67.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.092 . . . . 63.34 110.982 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.701 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 45.8 t80 -86.39 173.64 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 75.21 111.02 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 161.85 160.45 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 71.32 109.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 64.12 111.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 73.51 109.278 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 9.4 ptm . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.492 0.187 . . . . 54.14 111.053 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -131.02 117.65 19.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 61.12 109.328 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -73.21 109.42 6.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 75.13 110.332 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -87.62 117.34 26.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 75.05 110.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.7 m -102.64 154.24 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 52.1 109.97 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.854 ' CG1' HD12 ' A' ' 55' ' ' LEU . 77.7 t -63.46 136.84 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 41.43 109.274 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.724 ' O ' HG22 ' A' ' 23' ' ' THR . 45.9 t -131.88 125.15 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 63.42 109.315 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.72 105.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 72.35 109.313 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.07 -27.95 69.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 54.52 109.334 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.462 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 0.1 OUTLIER -148.16 175.91 10.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 73.22 110.293 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 50' ' ' PRO . 7.2 tp -63.59 103.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 75.22 109.277 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.936 HD11 ' O ' ' A' ' 21' ' ' MET . 18.7 mt -99.67 109.14 54.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 75.34 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.873 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -74.99 169.14 23.29 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.497 1.788 . . . . 72.11 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 tt -71.19 141.83 16.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 70.34 109.324 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 66.78 31.41 7.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 64.24 109.298 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.873 HG21 ' HD2' ' A' ' 12' ' ' PRO . 26.7 m -107.34 112.11 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 75.21 110.373 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.411 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.92 110.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 72.15 109.31 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.422 ' CD2' HG21 ' A' ' 11' ' ' ILE . 62.5 mt -56.96 148.02 22.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 72.52 109.256 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 16' ' ' ALA . 21.7 p -141.3 161.68 37.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 42.2 110.365 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.55 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.2 tp -66.15 -13.09 59.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 64.25 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -98.24 0.45 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 62.13 109.301 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.936 ' O ' HD11 ' A' ' 11' ' ' ILE . 34.0 mtm -125.59 9.31 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 65.13 111.014 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.437 ' CE ' HG12 ' A' ' 41' ' ' ILE . 75.3 mtm -137.14 154.8 50.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 73.23 111.007 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.2 t -161.62 -173.2 3.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 74.41 110.402 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.429 ' N ' ' OG1' ' A' ' 23' ' ' THR . 18.3 p -123.72 149.17 45.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 54.04 110.446 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.448 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.1 tmt_? 179.89 132.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 65.22 110.299 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 t -65.7 106.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 53.33 109.29 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.856 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.4 m -128.12 165.17 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 70.55 109.334 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.48 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.0 t -138.38 130.75 16.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 63.43 110.016 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.0 162.78 92.18 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.027 -2.489 . . . . 72.33 110.999 0.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 p -79.85 150.28 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 75.53 110.391 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.575 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.44 -146.37 6.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 65.03 110.977 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.753 HG21 HD21 ' A' ' 40' ' ' LEU . 62.7 mt -43.76 139.74 2.74 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.457 0.739 . . . . 74.45 109.275 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.03 147.77 34.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 74.31 110.992 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.11 -19.74 54.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 74.22 109.305 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -71.61 -4.48 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 71.11 110.31 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.531 ' O ' HD23 ' A' ' 40' ' ' LEU . 8.9 m-20 -106.55 4.71 28.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 71.35 109.323 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.26 -49.72 83.38 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 60.4 109.319 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.04 -1.52 11.34 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 73.33 111.006 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 66.0 mtp180 -97.6 -41.2 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 54.11 110.305 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.809 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -68.35 -26.56 65.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 70.14 109.334 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.55 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.5 mm -55.64 130.17 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 60.41 109.269 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 87.56 -16.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 71.23 109.991 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 1.5 mtm -98.2 129.62 44.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 75.14 111.007 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.2 mt-30 -80.57 179.05 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 63.35 110.302 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.608 HG21 HG22 ' A' ' 11' ' ' ILE . 2.5 m -109.73 143.23 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 65.32 109.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -92.4 32.96 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 61.32 109.301 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.483 ' O ' HG23 ' A' ' 49' ' ' VAL . 41.4 tt0 175.32 149.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 75.13 110.299 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.409 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.5 t -66.36 107.41 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 64.45 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 47' ' ' GLN . 62.8 t -106.03 104.43 49.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 63.43 109.267 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.497 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.98 151.19 39.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 63.32 110.984 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 32.8 ttm -50.03 142.91 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 61.34 110.993 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.406 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 85.95 -12.32 60.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.559 1.162 . . . . 71.03 110.982 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.4 m -83.93 115.41 22.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 63.44 110.379 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.856 ' OG1' HG21 ' A' ' 27' ' ' VAL . 45.3 m -50.67 142.94 10.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 74.42 110.437 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.854 HD12 ' CG1' ' A' ' 5' ' ' VAL . 5.8 mt -89.47 134.41 34.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 72.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.751 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.0 mmt -116.76 158.08 44.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 71.1 110.977 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.595 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.97 -9.96 21.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.821 . . . . 72.22 111.055 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -104.63 11.44 34.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 73.54 109.32 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 32.5 mtm -120.75 5.11 10.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 74.3 111.011 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.809 HG11 ' CD1' ' A' ' 40' ' ' LEU . 96.4 t -119.33 137.22 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 74.21 109.301 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -89.69 146.75 24.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 72.43 109.294 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.64 16.05 54.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.55 1.156 . . . . 61.24 111.029 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.695 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 50.3 t80 -85.32 173.6 10.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 74.23 110.973 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 161.96 160.44 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 60.21 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 72.42 110.99 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 75.23 109.304 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.489 0.185 . . . . 53.23 111.026 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -139.91 123.55 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 72.22 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -109.92 103.83 12.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 71.52 110.265 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -85.33 112.81 21.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 72.21 110.292 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -101.97 149.46 24.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 65.21 110.02 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.731 HG11 HD23 ' A' ' 55' ' ' LEU . 61.1 t -61.34 135.86 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 70.21 109.283 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.808 ' O ' HG22 ' A' ' 23' ' ' THR . 44.9 t -132.81 124.14 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 51.14 109.312 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.47 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -48.34 105.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 35.12 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.31 -26.04 68.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 64.31 109.275 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.482 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 1.5 pt20 -156.62 169.81 23.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 72.32 110.324 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 50' ' ' PRO . 14.8 tp -49.34 128.05 16.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 54.4 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.754 HD11 ' O ' ' A' ' 21' ' ' MET . 14.9 mt -130.26 106.2 16.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 73.04 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.773 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.05 173.31 14.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.504 1.792 . . . . 75.53 110.969 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 47' ' ' GLN . 3.9 tt -67.75 143.67 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 71.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 m120 60.96 40.34 15.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 74.42 109.338 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.773 HG21 ' HD2' ' A' ' 12' ' ' PRO . 18.3 m -106.65 108.85 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 72.15 110.372 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -51.9 105.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 75.23 109.331 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.448 HD21 ' CG1' ' A' ' 45' ' ' VAL . 67.2 mt -55.43 148.05 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 72.14 109.317 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -143.39 162.21 36.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 51.42 110.362 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.0 tp -66.86 -12.09 57.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 75.04 109.256 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.77 1.03 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 54.02 109.335 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.754 ' O ' HD11 ' A' ' 11' ' ' ILE . 19.4 mtm -125.52 9.59 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 71.01 111.01 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -138.36 157.91 45.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 62.2 111.005 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 6' ' ' VAL . 8.9 t -161.69 -173.65 3.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 72.13 110.343 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -124.48 150.11 46.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 72.51 110.392 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.535 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.0 OUTLIER 179.27 129.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 74.13 110.302 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 t -63.87 102.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 75.01 109.289 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.816 HG21 ' OG1' ' A' ' 54' ' ' THR . 13.4 m -122.56 165.68 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 52.43 109.301 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.433 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.6 t -137.55 130.43 16.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 74.4 110.006 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.0 162.47 92.79 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.947 -2.522 . . . . 62.54 111.047 -0.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -78.9 144.51 34.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 75.23 110.416 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.508 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -122.58 -144.6 6.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 70.33 111.008 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.491 HG22 ' CG2' ' A' ' 5' ' ' VAL . 13.9 mt -41.38 137.44 1.69 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 62.12 109.329 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.0 143.97 29.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 70.21 110.992 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.37 -19.64 56.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 65.35 109.281 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.01 -3.43 26.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 51.22 110.294 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.516 ' O ' HD23 ' A' ' 40' ' ' LEU . 19.6 m-20 -108.93 6.28 25.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 74.11 109.275 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.551 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.14 -49.55 83.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 60.23 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.98 -2.05 12.03 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 73.25 111.001 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 18.4 mtm180 -97.38 -39.92 8.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 75.03 110.303 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.72 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -69.63 -25.83 64.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 74.13 109.304 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.06 131.3 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 64.13 109.315 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.2 t 86.39 -14.05 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 65.51 109.962 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mtm -99.38 130.68 45.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 53.12 111.029 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 11.6 mt-30 -82.84 174.0 11.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.32 110.317 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.616 HG21 HG22 ' A' ' 11' ' ' ILE . 5.0 m -105.33 144.0 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 75.23 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.672 HD22 ' HA ' ' A' ' 59' ' ' MET . 0.7 OUTLIER -93.37 34.34 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 62.02 109.313 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.677 ' HA ' HD12 ' A' ' 13' ' ' ILE . 42.0 tt0 175.77 151.21 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 71.33 110.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.412 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 3.3 t -68.88 102.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 72.13 109.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 47' ' ' GLN . 10.6 t -103.55 106.67 53.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 74.53 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.576 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.99 162.25 37.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 72.02 111.01 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.482 ' HE2' ' HA ' ' A' ' 9' ' ' GLN . 30.5 ttm -61.96 143.04 57.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 74.51 110.958 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.99 -9.32 69.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 70.34 111.055 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.8 m -87.96 116.97 26.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 63.22 110.418 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.816 ' OG1' HG21 ' A' ' 27' ' ' VAL . 79.5 m -49.65 144.05 6.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 53.12 110.436 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.731 HD23 HG11 ' A' ' 5' ' ' VAL . 7.8 tp -91.41 137.16 32.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 74.25 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.508 ' HE2' ' HA3' ' A' ' 31' ' ' GLY . 7.1 mmt -118.88 157.93 49.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 63.12 111.041 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.597 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -8.57 20.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.781 . . . . 72.43 111.043 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.28 0.01 33.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 70.32 109.317 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.672 ' HA ' HD22 ' A' ' 46' ' ' ASN . 37.9 mtm -109.75 11.24 24.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 74.4 111.028 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.72 HG11 ' CD1' ' A' ' 40' ' ' LEU . 96.2 t -124.52 135.3 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 34.41 109.312 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -88.35 149.92 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 74.12 109.298 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.4 14.57 27.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 52.53 111.075 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 63.6 t80 -80.42 174.53 11.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.783 . . . . 74.53 111.013 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.583 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.4 159.93 0.34 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 65.23 109.313 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 75.04 111.036 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 73.41 109.287 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.7 ptm . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.519 0.2 . . . . 62.32 111.036 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -124.97 121.66 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 75.51 109.247 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -62.92 115.53 4.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 75.33 110.301 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -93.66 115.31 27.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 74.43 110.315 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 6' ' ' VAL . 16.2 m -102.43 149.24 24.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 70.42 109.98 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.568 HG12 ' HB2' ' A' ' 55' ' ' LEU . 65.2 t -59.19 138.87 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 71.3 109.315 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.554 ' O ' HG22 ' A' ' 23' ' ' THR . 67.5 t -135.79 126.66 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 71.34 109.279 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.431 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -47.18 106.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 61.32 109.265 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.58 -25.8 68.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 54.51 109.272 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.415 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 4.0 pt20 -156.5 178.28 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 73.52 110.301 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 50' ' ' PRO . 10.5 tp -59.08 113.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 72.32 109.322 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.901 HD11 ' O ' ' A' ' 21' ' ' MET . 17.6 mt -113.07 107.84 53.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 74.52 109.254 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.903 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.01 171.05 19.07 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 55.23 111.002 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 tt -72.15 146.0 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 63.05 109.348 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 63.4 28.55 15.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 72.15 109.273 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.903 HG21 ' HD2' ' A' ' 12' ' ' PRO . 31.8 m -104.19 111.74 24.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 74.41 110.397 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 18' ' ' THR . . . -53.59 111.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 54.34 109.277 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD21 ' CG1' ' A' ' 45' ' ' VAL . 55.1 mt -55.93 149.78 14.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 65.43 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 16' ' ' ALA . 24.6 p -143.42 161.5 38.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 74.22 110.363 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.541 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.4 tp -65.61 -15.35 62.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 65.24 109.307 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 m -96.15 1.0 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 74.34 109.293 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.901 ' O ' HD11 ' A' ' 11' ' ' ILE . 16.8 mtm -125.61 6.76 7.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 73.54 110.993 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.2 mtm -138.61 157.5 46.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 73.02 110.991 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 6' ' ' VAL . 15.4 t -161.47 -155.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 75.34 110.408 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.42 ' N ' HG23 ' A' ' 23' ' ' THR . 29.9 p -138.31 152.89 48.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 75.22 110.46 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? 176.78 136.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 73.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.9 100.08 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 71.51 109.332 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.621 HG21 ' OG1' ' A' ' 54' ' ' THR . 13.2 m -120.26 166.47 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 74.23 109.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.479 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -139.48 130.74 14.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 70.22 110.028 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.96 162.7 92.32 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.965 -2.514 . . . . 70.44 111.033 -0.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -77.91 150.3 34.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 75.43 110.385 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.87 -143.61 5.86 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.505 1.128 . . . . 71.42 111.033 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.671 HG21 HD21 ' A' ' 40' ' ' LEU . 88.4 mt -45.64 140.4 4.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.431 0.724 . . . . 75.2 109.264 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.645 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.91 145.73 32.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.449 1.763 . . . . 75.43 110.99 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.41 -20.87 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 75.22 109.267 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.01 -5.22 29.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 64.12 110.331 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.544 ' O ' HD23 ' A' ' 40' ' ' LEU . 12.8 m-20 -105.99 6.44 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 54.11 109.346 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -49.53 -50.04 68.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 74.12 109.292 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -10.52 21.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.568 1.825 . . . . 72.1 110.996 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 13.2 mtm180 -86.38 -36.49 19.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 72.11 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.73 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.1 mm? -74.53 -27.21 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.23 109.338 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.541 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -55.96 130.82 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 42.42 109.321 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.3 m 86.52 -14.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 63.2 110.01 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.5 mtm -99.97 127.71 46.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 74.21 110.995 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 4.2 mt-30 -79.45 -179.83 7.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 71.14 110.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.498 HG21 HG22 ' A' ' 11' ' ' ILE . 3.7 m -112.76 143.67 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 33.42 109.274 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.581 HD22 ' HA ' ' A' ' 59' ' ' MET . 0.8 OUTLIER -91.87 33.32 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 54.35 109.356 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.627 ' O ' HG23 ' A' ' 49' ' ' VAL . 41.7 tt0 175.66 148.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 65.3 110.286 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.407 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -66.95 104.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 74.13 109.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 47' ' ' GLN . 13.8 t -106.64 105.35 54.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 64.13 109.333 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.48 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.05 166.5 29.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 62.41 110.998 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.415 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 16.6 ttp -62.21 146.7 50.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 54.24 111.037 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.2 -9.45 60.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 61.11 110.992 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.0 m -85.39 118.56 25.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 64.44 110.379 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.621 ' OG1' HG21 ' A' ' 27' ' ' VAL . 61.8 m -50.26 144.05 7.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 75.44 110.394 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.568 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -88.66 125.99 35.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 72.43 109.324 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.6 ' H ' ' HE2' ' A' ' 59' ' ' MET . 5.9 mmt -112.41 153.99 44.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 65.14 110.958 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.625 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.02 -8.81 20.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 74.15 110.979 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.19 0.26 40.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 71.24 109.328 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.6 ' HE2' ' H ' ' A' ' 56' ' ' MET . 43.9 mtm -114.11 20.87 15.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.53 111.003 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.73 HG11 ' CD1' ' A' ' 40' ' ' LEU . 95.6 t -132.81 128.82 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 73.22 109.266 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.18 150.41 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 71.42 109.315 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.7 14.96 24.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 51.52 110.995 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 66.7 t80 -80.21 174.71 11.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 0.785 . . . . 74.21 110.996 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.566 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 175.03 159.66 0.37 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 52.01 109.321 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.479 1.778 . . . . 73.55 110.966 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 32.23 109.295 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.327 -0.249 . . . . 72.31 110.327 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -90.89 114.67 27.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 73.02 110.281 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 m -101.93 155.46 18.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 71.32 109.981 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.827 ' CG1' HD12 ' A' ' 55' ' ' LEU . 81.1 t -64.17 136.13 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 70.21 109.309 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.689 ' O ' HG22 ' A' ' 23' ' ' THR . 43.1 t -132.46 124.58 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 53.04 109.317 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.7 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -48.73 106.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 72.02 109.289 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.38 -25.99 68.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 52.31 109.275 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.476 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 3.4 pt20 -157.71 173.11 17.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 74.04 110.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 50' ' ' PRO . 15.5 tp -48.67 131.55 17.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 75.04 109.283 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.7 HD12 ' HB1' ' A' ' 7' ' ' ALA . 9.9 mt -135.99 104.02 9.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 53.21 109.274 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.743 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.0 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 62.44 111.019 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 47' ' ' GLN . 3.0 tt -68.26 139.71 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 43.43 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 66.02 38.85 4.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 63.52 109.318 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.743 HG21 ' HD2' ' A' ' 12' ' ' PRO . 15.9 m -106.03 110.5 22.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 53.33 110.386 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.41 107.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.23 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.448 HD21 HG13 ' A' ' 45' ' ' VAL . 65.3 mt -58.02 147.79 28.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 53.52 109.348 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.8 p -143.49 162.1 36.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 71.53 110.391 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.552 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.3 tp -66.32 -11.82 53.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 65.14 109.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 m -100.37 0.18 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 64.23 109.336 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.567 ' O ' HD11 ' A' ' 11' ' ' ILE . 18.0 mtm -125.29 10.52 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 73.41 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.1 mtm -139.96 155.65 47.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 63.22 111.008 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.8 t -161.63 -169.3 2.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 65.01 110.418 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.446 ' N ' ' OG1' ' A' ' 23' ' ' THR . 17.9 p -127.09 148.89 50.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 72.11 110.416 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -178.17 137.89 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 74.03 110.323 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 t -70.21 101.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 73.53 109.287 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.836 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.5 m -123.54 164.84 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 64.41 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.434 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.5 t -139.0 130.99 15.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 73.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.0 162.74 92.24 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.005 -2.498 . . . . 73.42 111.017 -0.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 p -79.04 150.28 31.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 74.53 110.441 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.555 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.65 -145.7 6.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 52.43 110.996 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.678 HG21 HD21 ' A' ' 40' ' ' LEU . 68.0 mt -43.37 139.7 2.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 72.11 109.285 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.599 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -75.02 146.85 33.06 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.454 1.765 . . . . 64.12 110.989 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.2 -19.95 56.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 52.22 109.325 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.46 -4.87 28.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 63.15 110.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.561 ' O ' HD23 ' A' ' 40' ' ' LEU . 13.7 m-20 -106.36 5.15 29.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 74.43 109.307 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.19 -50.2 80.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 72.54 109.293 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.96 -2.07 12.05 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.491 1.785 . . . . 53.44 111.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 69.2 mtp180 -97.4 -38.86 9.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 75.42 110.32 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.78 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -70.85 -25.57 62.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 65.13 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.552 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.26 130.42 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 72.05 109.293 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.3 t 86.9 -14.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 72.33 109.998 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.459 ' HE2' HD13 ' A' ' 40' ' ' LEU . 1.5 mtm -98.66 131.0 45.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 74.34 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.2 mt-30 -84.02 174.67 10.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 65.23 110.293 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.585 HG21 HG22 ' A' ' 11' ' ' ILE . 3.7 m -104.19 152.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 75.12 109.308 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.493 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 27.1 p30 -101.72 29.35 4.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 74.12 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.597 ' O ' HG23 ' A' ' 49' ' ' VAL . 7.9 tt0 -179.92 151.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 73.32 110.292 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.464 HG22 ' HA ' ' A' ' 12' ' ' PRO . 3.4 t -69.65 100.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 64.11 109.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 47' ' ' GLN . 2.9 t -102.64 107.23 53.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 73.22 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.508 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.0 Cg_endo -75.05 159.98 40.55 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.466 1.772 . . . . 75.24 110.96 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.476 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 31.6 ttm -56.94 142.67 40.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 72.1 110.99 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 86.1 -11.28 63.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.452 1.095 . . . . 54.23 111.039 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.5 m -83.69 114.64 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 71.51 110.384 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.836 ' OG1' HG21 ' A' ' 27' ' ' VAL . 56.5 m -49.68 141.87 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 75.23 110.409 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.827 HD12 ' CG1' ' A' ' 5' ' ' VAL . 5.4 mt -89.25 134.07 34.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 75.44 109.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.678 ' O ' HD11 ' A' ' 32' ' ' ILE . 8.6 mmt -115.06 157.88 42.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 73.14 110.976 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.591 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.03 -9.33 20.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 62.23 111.009 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -106.44 11.95 30.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 72.12 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.444 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 28.0 mtm -120.83 8.67 10.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 63.41 110.968 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.78 HG11 ' CD1' ' A' ' 40' ' ' LEU . 96.7 t -120.87 134.5 64.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 71.34 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.493 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.8 mtpp -89.84 131.29 35.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 73.43 109.275 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.25 18.68 75.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.15 . . . . 33.13 110.988 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.695 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 58.2 t80 -89.53 173.84 8.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 74.1 111.011 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 161.64 159.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 71.34 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.506 1.792 . . . . 74.15 111.037 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.304 -0.258 . . . . 74.52 110.304 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -83.76 113.19 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 41.14 110.306 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 6' ' ' VAL . 13.6 m -101.85 152.67 20.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.43 110.009 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.599 HG12 ' HB2' ' A' ' 55' ' ' LEU . 72.0 t -60.7 139.33 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 51.43 109.312 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.621 ' O ' HG22 ' A' ' 23' ' ' THR . 61.8 t -136.57 128.74 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 71.01 109.321 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -49.87 106.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 53.34 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.04 68.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 54.13 109.333 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.438 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 7.5 pt20 -157.83 177.05 11.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 50.21 110.312 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 50' ' ' PRO . 8.4 tp -56.99 119.35 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 74.52 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.751 HD11 ' O ' ' A' ' 21' ' ' MET . 10.6 mt -120.14 109.08 37.55 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 71.24 109.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.863 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.99 171.02 19.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.789 . . . . 61.3 110.977 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.4 tt -73.04 139.5 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 73.02 109.28 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 69.8 31.79 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 62.14 109.338 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.863 HG21 ' HD2' ' A' ' 12' ' ' PRO . 28.9 m -106.36 111.39 23.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 71.21 110.388 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 18' ' ' THR . . . -52.75 109.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 62.21 109.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.468 ' CD1' HD12 ' A' ' 40' ' ' LEU . 62.0 mt -54.73 149.27 11.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 63.2 109.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 16' ' ' ALA . 24.5 p -142.92 161.94 36.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 73.13 110.393 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.8 tp -66.28 -12.74 58.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 72.14 109.28 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.431 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 2.4 m -99.3 0.98 10.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 54.12 109.272 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.751 ' O ' HD11 ' A' ' 11' ' ' ILE . 15.3 mtm -125.62 10.33 7.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 73.34 111.021 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.2 mtm -140.21 155.89 46.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.44 110.954 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 6' ' ' VAL . 8.8 t -161.77 -166.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 42.44 110.429 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.434 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.3 p -127.58 152.11 48.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 73.34 110.409 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 179.62 139.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 72.1 110.301 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.55 92.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 73.12 109.327 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.789 HG21 ' OG1' ' A' ' 54' ' ' THR . 9.2 m -113.28 163.37 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 74.53 109.273 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.451 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.74 131.35 15.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 71.31 109.967 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.93 162.64 92.41 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.005 -2.498 . . . . 75.21 111.058 -0.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -75.85 153.07 37.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 41.12 110.408 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.39 -140.91 5.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 53.32 110.976 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.759 HD11 ' O ' ' A' ' 56' ' ' MET . 38.7 mt -48.21 142.39 7.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 74.31 109.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.726 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.03 146.41 32.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 55.21 110.962 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.15 -20.1 62.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 42.34 109.305 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.84 -5.81 40.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 74.15 110.356 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.54 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.4 m-20 -105.16 2.62 29.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 73.13 109.281 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -47.6 -49.29 56.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 71.32 109.319 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.0 -13.7 21.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 70.2 110.992 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 12.8 mtm180 -83.56 -34.01 25.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 74.35 110.344 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.779 ' CD1' HG21 ' A' ' 60' ' ' VAL . 3.7 mm? -75.25 -27.01 59.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 71.22 109.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.7 mm -55.76 130.91 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 73.35 109.282 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 86.33 -14.75 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 65.21 109.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -97.97 127.39 43.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 74.43 111.004 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.6 mt-30 -80.86 179.66 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 52.53 110.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.448 HG21 HG22 ' A' ' 11' ' ' ILE . 4.4 m -110.73 150.33 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 61.44 109.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 17.9 p30 -99.38 27.55 5.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 75.33 109.307 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.703 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.3 tt0 -178.63 147.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 74.34 110.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.65 102.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 75.4 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 47' ' ' GLN . 15.9 t -104.99 105.47 51.58 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 70.14 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.453 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -74.99 167.81 26.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 62.13 111.011 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.438 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 8.3 ttp -64.69 148.53 50.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 60.43 111.009 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.46 -7.21 61.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 63.05 111.052 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.5 m -88.77 119.13 28.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 64.32 110.377 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.789 ' OG1' HG21 ' A' ' 27' ' ' VAL . 87.5 m -49.72 144.4 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 63.25 110.37 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.599 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -89.12 124.9 34.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 61.41 109.302 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.759 ' O ' HD11 ' A' ' 32' ' ' ILE . 8.2 mmt -108.52 152.94 42.34 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 73.53 111.006 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.592 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -14.57 21.14 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.475 1.776 . . . . 60.42 111.02 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -100.96 12.75 37.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 51.5 109.294 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.622 ' HE2' ' H ' ' A' ' 56' ' ' MET . 24.5 mtm -120.61 7.4 10.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 72.11 111.02 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.779 HG21 ' CD1' ' A' ' 40' ' ' LEU . 42.7 t -121.58 135.11 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 73.11 109.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.487 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.8 mtpp -89.49 136.2 33.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 70.01 109.275 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.65 15.48 81.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 63.45 110.999 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 45.4 t80 -87.79 174.38 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 60.32 111.024 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.623 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.02 159.69 0.32 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 44.25 109.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 74.4 111.052 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.27 -0.27 . . . . 72.45 110.27 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -96.84 115.9 28.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 74.41 110.309 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.9 m -101.45 150.46 23.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 63.35 110.009 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.603 HG11 HD22 ' A' ' 55' ' ' LEU . 78.0 t -61.11 134.44 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 62.3 109.31 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.764 ' O ' HG22 ' A' ' 23' ' ' THR . 61.2 t -129.86 126.11 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 53.52 109.346 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.91 104.75 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 73.03 109.307 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.9 69.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 62.12 109.321 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.439 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 5.0 pt20 -154.25 176.28 12.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 73.21 110.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 50' ' ' PRO . 9.8 tp -56.57 119.65 6.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 61.32 109.255 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.473 HG21 HD23 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -117.14 105.22 49.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 74.2 109.314 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.873 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.99 161.57 38.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 61.43 110.984 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.49 HG23 ' ND2' ' A' ' 14' ' ' ASN . 2.0 tt -66.05 140.19 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 74.52 109.306 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.49 ' ND2' HG23 ' A' ' 13' ' ' ILE . 8.1 m-80 69.68 29.89 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 62.12 109.322 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.873 HG21 ' HD2' ' A' ' 12' ' ' PRO . 32.3 m -106.29 112.07 24.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 75.34 110.461 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.53 109.74 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 61.32 109.336 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.473 HD23 HG21 ' A' ' 11' ' ' ILE . 61.7 mt -54.9 149.8 11.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 74.02 109.304 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 p -143.42 161.63 37.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 71.34 110.399 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.0 tp -66.02 -14.78 62.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 64.33 109.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -97.58 1.68 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 63.23 109.289 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.403 ' O ' HD11 ' A' ' 11' ' ' ILE . 16.2 mtm -125.67 8.89 7.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 74.32 111.005 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -138.63 158.23 44.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 73.41 110.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 6' ' ' VAL . 10.3 t -161.77 -167.9 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 61.01 110.403 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.441 ' N ' ' OG1' ' A' ' 23' ' ' THR . 22.1 p -129.44 149.5 51.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 52.35 110.375 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 179.15 135.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 74.11 110.321 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.97 103.2 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 62.54 109.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.697 HG21 ' OG1' ' A' ' 54' ' ' THR . 14.9 m -123.6 167.06 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 43.14 109.284 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.474 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 6.8 t -139.23 130.39 14.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 75.11 109.99 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.95 162.86 91.98 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.988 -2.505 . . . . 70.22 111.028 -0.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -80.5 148.83 30.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.14 110.409 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.626 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.39 -145.94 6.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 24.43 110.992 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 56' ' ' MET . 66.6 mt -41.3 138.83 1.45 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 74.45 109.329 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.578 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.97 144.94 30.94 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 52.34 110.984 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.28 -20.29 58.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 75.21 109.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.28 -5.16 30.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 70.25 110.282 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.545 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.5 m-20 -106.24 6.65 30.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 65.15 109.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.03 -50.28 79.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 62.12 109.298 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.01 -1.91 11.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.436 1.756 . . . . 71.2 110.981 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 16.6 mtm180 -97.23 -38.83 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.11 110.312 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.748 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -70.78 -26.51 63.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 63.45 109.311 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -55.81 131.22 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 74.11 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.4 t 86.49 -14.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 64.5 109.967 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mtm -99.28 128.22 45.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 63.14 110.987 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.3 mt-30 -80.21 179.42 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 71.02 110.304 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.439 ' O ' ' CE ' ' A' ' 61' ' ' LYS . 2.9 m -110.85 143.01 21.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 72.02 109.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -92.72 31.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 72.03 109.28 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.581 ' O ' HG23 ' A' ' 49' ' ' VAL . 9.3 tt0 177.73 148.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 63.24 110.252 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.413 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -63.5 106.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 74.23 109.314 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 47' ' ' GLN . 68.0 t -109.31 100.69 42.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.12 109.288 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.01 168.4 24.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.788 . . . . 74.35 111.013 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.4 ttp -64.74 149.96 48.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 72.53 111.006 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.99 -3.41 65.3 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.134 . . . . 71.12 110.986 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.2 m -95.2 115.48 27.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 0.737 . . . . 75.32 110.376 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.697 ' OG1' HG21 ' A' ' 27' ' ' VAL . 38.6 m -49.77 144.3 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 54.35 110.409 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.603 HD22 HG11 ' A' ' 5' ' ' VAL . 9.7 tp -91.15 136.07 33.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 73.41 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.67 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.4 mmt -119.37 158.06 49.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 75.5 110.981 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.01 -8.9 20.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 72.33 110.983 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -103.7 10.25 36.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 74.41 109.294 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.636 ' HE2' ' H ' ' A' ' 56' ' ' MET . 37.5 mtm -120.77 9.04 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 72.24 111.019 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.748 HG11 ' CD1' ' A' ' 40' ' ' LEU . 96.2 t -123.07 133.74 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 42.31 109.297 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -86.69 149.85 24.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 74.34 109.302 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.67 14.21 28.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 65.33 111.006 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 71.0 t80 -80.0 175.06 10.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.798 . . . . 62.33 111.01 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.564 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 172.67 158.92 0.26 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 62.05 109.341 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 54.32 110.988 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.304 -0.258 . . . . 73.41 110.304 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -89.15 114.75 26.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 74.41 110.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.4 m -103.39 152.02 22.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 74.3 109.978 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.578 HG11 ' CD2' ' A' ' 55' ' ' LEU . 75.8 t -61.44 135.43 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 72.32 109.263 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.47 ' O ' HG22 ' A' ' 23' ' ' THR . 62.0 t -131.87 125.83 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 75.32 109.285 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.63 105.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 75.12 109.324 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.64 -26.2 68.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 61.32 109.327 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.99 -175.18 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 61.25 110.258 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.8 tp -72.62 105.4 4.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 73.12 109.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.539 HG21 HD23 ' A' ' 17' ' ' LEU . 1.8 mt -100.1 108.95 54.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 74.42 109.293 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.85 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.1 Cg_endo -74.99 168.72 24.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 72.24 110.957 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.936 HD12 ' HA ' ' A' ' 47' ' ' GLN . 7.2 tt -70.0 137.68 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 71.35 109.278 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.409 ' ND2' HG12 ' A' ' 13' ' ' ILE . 2.0 m120 66.51 41.42 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 74.53 109.307 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.85 HG21 ' HD2' ' A' ' 12' ' ' PRO . 31.5 m -114.55 110.7 20.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 72.42 110.395 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -49.73 107.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 73.43 109.268 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.539 HD23 HG21 ' A' ' 11' ' ' ILE . 58.9 mt -54.34 149.89 9.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 74.11 109.274 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 p -143.34 161.14 39.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 73.12 110.419 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.3 tp -65.41 -17.35 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 75.12 109.271 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -94.29 1.01 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 60.33 109.335 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.51 ' O ' HD11 ' A' ' 11' ' ' ILE . 27.5 mtm -125.55 6.46 7.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 71.42 110.97 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -139.98 157.17 46.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 73.13 110.983 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 24' ' ' THR . 15.2 t -161.39 -152.03 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 71.23 110.435 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.495 ' N ' HG23 ' A' ' 23' ' ' THR . 30.2 p -141.84 151.06 42.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 75.55 110.412 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? 179.91 143.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 72.51 110.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -74.85 97.46 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 71.35 109.294 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.801 HG21 ' OG1' ' A' ' 54' ' ' THR . 8.4 m -119.11 163.0 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 73.32 109.287 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.44 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.9 t -137.54 131.08 17.15 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 70.31 110.001 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.04 162.75 92.22 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.955 -2.519 . . . . 60.11 111.001 -0.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 p -78.16 149.42 33.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 65.35 110.404 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.604 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -127.12 -145.73 6.29 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.535 1.147 . . . . 60.03 111.012 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.662 HD11 ' O ' ' A' ' 56' ' ' MET . 59.5 mt -42.26 139.27 1.85 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 64.34 109.313 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.97 145.77 31.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 74.23 110.991 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.24 -20.14 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 73.11 109.291 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.42 -4.97 29.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 71.13 110.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.556 ' O ' HD23 ' A' ' 40' ' ' LEU . 16.7 m-20 -106.37 6.39 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 33.15 109.307 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.528 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -51.86 -50.81 75.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 72.31 109.307 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.97 -1.9 11.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 71.24 111.043 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.447 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 16.0 mtm180 -97.0 -38.09 9.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 73.4 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.667 ' CD1' HG21 ' A' ' 60' ' ' VAL . 4.0 mm? -71.85 -26.41 62.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 55.02 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.04 131.29 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 72.42 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 86.46 -14.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 72.31 110.026 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mtm -99.24 127.01 45.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.097 . . . . 70.23 110.998 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.9 mt-30 -78.44 179.23 7.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 72.4 110.296 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.463 ' CG1' HD21 ' A' ' 17' ' ' LEU . 4.5 m -108.95 152.49 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 71.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.498 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 18.7 p30 -103.21 28.46 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 70.43 109.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.936 ' HA ' HD12 ' A' ' 13' ' ' ILE . 8.8 tt0 179.77 148.32 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 71.34 110.344 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.407 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.5 t -65.72 106.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 60.44 109.302 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 47' ' ' GLN . 6.3 t -109.41 100.55 42.03 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.33 109.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.475 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.0 155.06 42.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.479 1.778 . . . . 74.32 110.988 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.8 ttp -49.82 147.57 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 75.12 110.99 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.76 -5.58 69.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 70.52 110.981 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.8 m -91.94 116.17 28.69 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 0.763 . . . . 51.42 110.408 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.801 ' OG1' HG21 ' A' ' 27' ' ' VAL . 94.2 m -51.47 144.41 10.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 52.35 110.377 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.578 ' CD2' HG11 ' A' ' 5' ' ' VAL . 8.8 tp -91.41 134.12 34.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 55.11 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.662 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.5 mmt -119.25 158.2 49.15 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 71.22 110.988 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.586 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.99 -11.08 21.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.772 . . . . 71.33 111.039 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.62 11.51 37.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 55.04 109.304 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.443 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 32.7 mtm -120.96 7.61 10.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 64.22 111.005 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 40' ' ' LEU . 78.7 t -120.05 139.46 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 65.22 109.307 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.498 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -90.11 148.19 23.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.51 109.32 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.02 16.78 34.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 63.41 110.979 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 71.1 t80 -80.87 174.98 11.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 75.31 110.98 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.68 158.54 0.21 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 72.24 109.336 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.502 1.79 . . . . 65.42 111.008 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.273 -0.269 . . . . 74.1 110.273 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -92.48 115.45 28.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 72.15 110.302 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 6' ' ' VAL . 12.3 m -101.86 150.51 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 75.53 110.007 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.571 HG12 ' HB2' ' A' ' 55' ' ' LEU . 64.6 t -59.31 139.61 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 73.35 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.745 ' O ' HG22 ' A' ' 23' ' ' THR . 58.0 t -135.89 127.41 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 74.52 109.267 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.38 105.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 74.13 109.326 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.41 -26.7 68.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 73.31 109.323 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.479 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 2.8 pt20 -156.51 176.93 12.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 60.12 110.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 tp -58.21 114.49 2.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 64.34 109.261 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.914 HD11 ' O ' ' A' ' 21' ' ' MET . 14.0 mt -114.63 108.75 48.84 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 63.22 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.864 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.05 167.43 27.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.543 1.812 . . . . 70.12 110.999 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.4 tt -70.48 139.58 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 70.33 109.327 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 70.48 29.63 3.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 73.14 109.345 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.864 HG21 ' HD2' ' A' ' 12' ' ' PRO . 26.0 m -105.82 111.46 24.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 73.12 110.41 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.41 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.36 107.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 31.43 109.272 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.444 HD21 ' CG1' ' A' ' 45' ' ' VAL . 54.9 mt -53.03 149.87 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 75.32 109.295 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 p -143.53 161.5 38.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 74.33 110.389 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.5 tp -65.96 -14.93 62.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 71.44 109.273 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -97.09 1.62 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 73.02 109.28 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.914 ' O ' HD11 ' A' ' 11' ' ' ILE . 29.0 mtm -125.43 4.47 7.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 75.51 111.005 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.1 mtm -133.64 156.61 47.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 71.43 111.024 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.745 HG22 ' O ' ' A' ' 6' ' ' VAL . 10.2 t -161.59 -172.32 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 62.12 110.41 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.419 ' N ' ' OG1' ' A' ' 23' ' ' THR . 20.3 p -123.64 150.72 43.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 75.45 110.366 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -179.54 135.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 51.23 110.278 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 t -69.92 92.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 72.53 109.34 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.825 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.2 m -111.99 164.96 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 72.22 109.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.445 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 t -138.61 130.85 15.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 70.35 110.013 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.98 162.8 92.12 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.011 -2.495 . . . . 64.42 111.012 -0.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -77.73 149.73 34.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 64.43 110.396 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.91 -143.25 5.78 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.555 1.159 . . . . 54.12 110.95 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.682 HD11 ' O ' ' A' ' 56' ' ' MET . 70.4 mt -43.92 139.52 2.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 61.41 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.602 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -74.98 145.14 31.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.769 . . . . 61.22 111.01 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.32 58.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 73.22 109.318 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -4.18 27.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 74.5 110.267 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.534 ' O ' HD23 ' A' ' 40' ' ' LEU . 13.8 m-20 -107.54 5.76 27.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 70.21 109.323 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.546 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.12 -49.66 83.25 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 75.25 109.299 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -75.0 -2.94 13.19 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 73.42 111.054 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.417 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 17.3 mtm180 -96.01 -40.16 9.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 65.5 110.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.777 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -69.58 -26.42 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 44.54 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -55.83 131.75 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 75.31 109.266 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.6 t 86.31 -14.28 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 73.42 109.994 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.3 mtm -99.78 127.75 45.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 72.21 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.5 mt-30 -78.77 178.74 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 72.24 110.326 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.504 HG21 HG22 ' A' ' 11' ' ' ILE . 3.7 m -110.55 144.0 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 74.14 109.277 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.45 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 16.3 p30 -93.27 32.49 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 72.33 109.284 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.681 ' O ' HG23 ' A' ' 49' ' ' VAL . 10.1 tt0 176.24 148.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 74.41 110.263 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.411 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -64.93 107.39 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 55.12 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 47' ' ' GLN . 12.2 t -109.8 103.28 52.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 63.32 109.297 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.13 27.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 75.04 111.028 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 35.2 ttm -62.72 145.37 54.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 73.03 111.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 83.76 -10.04 60.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.554 1.159 . . . . 72.41 111.006 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.1 m -84.36 116.53 23.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 0.735 . . . . 72.25 110.376 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.825 ' OG1' HG21 ' A' ' 27' ' ' VAL . 97.3 m -49.57 144.5 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 72.23 110.393 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.571 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -87.5 133.23 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 63.43 109.309 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.682 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.0 mmt -118.14 154.0 51.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 71.24 110.984 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -9.06 20.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 71.35 111.028 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.16 -0.99 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 70.01 109.343 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.641 ' HE2' ' H ' ' A' ' 56' ' ' MET . 34.4 mtm -108.38 10.49 27.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 64.24 110.984 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.777 HG11 ' CD1' ' A' ' 40' ' ' LEU . 98.1 t -124.15 131.45 72.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 75.42 109.277 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.443 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -84.99 149.6 25.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 55.45 109.311 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.98 15.22 27.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.142 . . . . 43.44 111.01 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.601 ' HB2' HG12 ' A' ' 60' ' ' VAL . 72.7 t80 -79.19 174.57 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 73.42 111.019 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.535 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 173.99 158.77 0.32 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 72.25 109.264 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 71.15 111.002 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.297 -0.26 . . . . 44.22 110.297 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.3 114.32 26.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 70.13 110.275 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.456 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.4 m -101.7 151.79 21.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 53.14 109.969 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.68 HG12 HD23 ' A' ' 55' ' ' LEU . 93.5 t -59.87 143.23 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 73.42 109.304 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.686 ' O ' HG22 ' A' ' 23' ' ' THR . 53.7 t -139.13 124.89 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 73.24 109.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 102.89 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 64.13 109.293 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.06 -29.97 71.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 74.33 109.333 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -143.53 179.08 7.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 72.14 110.316 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 50' ' ' PRO . 8.8 tp -62.56 121.05 12.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 61.41 109.292 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.65 HG21 ' CD2' ' A' ' 17' ' ' LEU . 1.5 mt -115.82 102.92 54.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 62.32 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.862 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.02 161.22 39.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 70.33 110.991 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.951 HD12 ' HA ' ' A' ' 47' ' ' GLN . 5.6 tt -63.54 136.37 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 73.32 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 67.2 43.19 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 75.34 109.31 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.862 HG21 ' HD2' ' A' ' 12' ' ' PRO . 55.2 m -117.4 115.98 26.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 53.33 110.419 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.87 110.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 64.53 109.29 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.65 ' CD2' HG21 ' A' ' 11' ' ' ILE . 87.8 mt -59.04 149.16 28.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 74.24 109.3 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.4 p -142.94 161.12 38.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 62.35 110.412 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 7.7 tp -65.38 -17.43 64.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 74.41 109.262 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.9 m -92.23 -0.6 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 75.41 109.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.9 mtm -125.75 10.32 7.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 75.4 110.943 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.7 mtm -138.57 152.94 48.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 61.44 111.058 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.0 t -160.46 -174.26 4.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 72.32 110.396 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.1 p -121.15 146.77 46.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 61.22 110.414 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.461 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -175.54 131.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 75.45 110.262 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -66.37 97.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 75.53 109.306 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.903 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.0 m -117.17 165.7 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 71.11 109.295 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.437 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.81 130.73 15.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 74.42 110.011 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -75.0 162.81 92.12 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.035 -2.485 . . . . 75.24 111.009 0.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 p -76.26 149.94 37.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 53.34 110.379 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.499 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.71 -145.45 6.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.429 1.081 . . . . 64.22 111.03 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.713 HD11 ' O ' ' A' ' 56' ' ' MET . 52.8 mt -44.01 139.69 2.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 64.32 109.312 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.0 145.77 31.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 70.02 111.009 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.67 60.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 71.41 109.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.43 -4.74 28.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 64.24 110.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.536 ' O ' HD23 ' A' ' 40' ' ' LEU . 12.4 m-20 -107.29 5.27 27.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.168 . . . . 74.3 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.39 -49.65 84.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 71.13 109.278 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -1.75 11.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.53 1.805 . . . . 72.43 111.014 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 18.3 mtm180 -97.38 -40.36 8.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 72.52 110.331 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.683 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -69.13 -27.05 65.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 71.23 109.291 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -55.71 131.73 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 64.23 109.309 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 86.35 -14.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.32 109.999 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtm -98.48 130.35 45.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 64.22 110.944 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.2 mt-30 -82.74 170.9 14.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 60.33 110.278 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.628 ' CG1' HD21 ' A' ' 17' ' ' LEU . 29.1 m -100.23 154.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 53.31 109.285 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.499 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 20.6 p30 -106.04 30.52 5.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 65.14 109.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.951 ' HA ' HD12 ' A' ' 13' ' ' ILE . 8.5 tt0 178.71 148.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 71.33 110.294 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.414 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -63.12 103.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 74.11 109.309 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 47' ' ' GLN . 89.3 t -109.95 99.73 40.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 73.34 109.279 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.513 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.1 Cg_endo -74.99 160.77 39.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 53.12 110.975 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 36.0 ttp -52.57 148.23 7.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.23 111.015 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.99 -4.7 69.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 74.52 111.005 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.8 m -88.79 114.32 25.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 75.24 110.42 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.903 ' OG1' HG21 ' A' ' 27' ' ' VAL . 51.8 m -49.71 144.3 6.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.25 110.387 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.68 HD23 HG12 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -85.37 132.57 34.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 63.1 109.337 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.713 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.6 mmt -121.16 152.3 56.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 73.21 110.987 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.0 Cg_endo -75.03 -9.74 20.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.558 1.82 . . . . 64.15 110.963 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.58 8.11 37.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 74.24 109.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.48 ' HE2' ' HB2' ' A' ' 59' ' ' MET . 20.0 mtm -120.96 11.85 11.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 64.02 111.018 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.683 HG11 ' CD1' ' A' ' 40' ' ' LEU . 92.3 t -122.5 138.63 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 74.01 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.499 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -90.27 149.26 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 73.21 109.294 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.94 18.07 24.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 72.02 111.015 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 72.9 t80 -81.6 174.6 11.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 62.04 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.545 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 174.13 158.22 0.32 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 71.25 109.338 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.554 1.818 . . . . 64.33 110.979 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.33 -0.248 . . . . 64.1 110.33 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -89.35 113.74 25.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 75.12 110.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.485 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.7 m -102.92 152.13 21.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 74.3 109.98 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.602 HG12 ' HB2' ' A' ' 55' ' ' LEU . 73.8 t -59.96 139.78 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 70.5 109.324 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 23' ' ' THR . 62.1 t -137.8 130.04 40.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 64.21 109.34 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.98 106.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 70.24 109.275 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.36 -26.62 68.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 65.33 109.315 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.479 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 5.7 pt20 -156.56 -178.9 7.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 62.42 110.337 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 50' ' ' PRO . 15.3 tp -57.88 119.61 7.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 54.43 109.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -118.89 105.18 45.68 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 72.44 109.263 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.861 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.06 165.23 31.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 71.21 111.005 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.5 tt -68.72 138.38 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 70.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 70.84 32.31 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 65.34 109.296 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.861 HG21 ' HD2' ' A' ' 12' ' ' PRO . 29.4 m -107.79 112.3 24.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 74.05 110.384 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.31 110.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 54.14 109.303 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.58 HD21 ' CG1' ' A' ' 45' ' ' VAL . 77.2 mt -56.24 147.23 21.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 64.33 109.316 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 p -141.98 164.29 30.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 74.44 110.406 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.529 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.5 tp -67.46 -15.36 63.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 51.52 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -96.63 0.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 72.44 109.291 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.407 ' O ' HD11 ' A' ' 11' ' ' ILE . 13.5 mtm -125.56 8.63 7.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 54.53 110.991 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 75.6 mtm -139.55 156.11 47.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 75.53 111.032 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 6' ' ' VAL . 10.2 t -161.95 -165.31 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 72.33 110.369 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.426 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.5 p -128.12 151.57 49.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 64.51 110.422 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -179.5 135.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 72.31 110.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 t -70.66 93.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 64.13 109.327 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.822 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.4 m -114.14 164.56 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 62.42 109.29 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.437 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 4.1 t -138.65 130.95 15.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 61.11 109.994 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.03 162.81 92.09 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.006 -2.497 . . . . 70.1 111.006 0.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -74.92 152.51 38.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 65.33 110.4 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.38 -142.64 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 54.44 111.007 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.742 HD11 ' O ' ' A' ' 56' ' ' MET . 35.9 mt -46.36 141.39 4.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 71.34 109.284 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.97 144.8 30.78 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 71.11 111.006 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.83 -18.47 55.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 60.23 109.334 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.11 -2.63 28.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 73.22 110.323 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.53 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.4 m-20 -108.53 4.79 24.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 73.33 109.334 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.551 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -50.0 -49.07 76.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 64.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.01 -9.8 20.92 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 63.24 111.04 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 14.7 mtm180 -88.27 -37.83 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 72.13 110.299 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.692 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -73.3 -25.83 60.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 73.24 109.261 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.529 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.2 mm -56.71 130.77 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 71.14 109.276 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.2 m 86.78 -14.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.45 109.966 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -98.57 126.49 44.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 64.33 110.972 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.403 ' HA ' ' O ' ' A' ' 15' ' ' THR . 4.3 mt-30 -77.46 -179.88 6.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 74.22 110.252 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.58 ' CG1' HD21 ' A' ' 17' ' ' LEU . 13.6 m -111.12 153.53 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.43 109.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.489 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 19.9 p30 -103.04 31.23 4.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 54.31 109.264 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.713 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.8 tt0 177.17 148.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 75.2 110.332 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.406 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -63.19 104.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 63.55 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 47' ' ' GLN . 22.0 t -107.4 102.77 45.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 75.52 109.359 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.503 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.0 173.74 14.0 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 64.13 110.982 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 35.0 ttm -68.67 146.18 53.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 61.23 111.03 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 83.39 -10.31 59.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.488 1.117 . . . . 73.31 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -84.74 116.98 23.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 0.744 . . . . 75.1 110.411 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.822 ' OG1' HG21 ' A' ' 27' ' ' VAL . 98.2 m -49.5 144.37 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 74.42 110.407 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.602 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -89.27 125.68 35.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 74.23 109.299 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.742 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.4 mmt -110.71 153.6 43.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 63.24 110.974 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.607 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.99 -8.36 20.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 70.1 110.999 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.44 0.29 33.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 73.53 109.276 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.621 ' HE2' ' H ' ' A' ' 56' ' ' MET . 38.3 mtm -112.04 16.52 20.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 65.43 111.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.692 HG11 ' CD1' ' A' ' 40' ' ' LEU . 97.2 t -126.47 131.45 71.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 73.14 109.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.489 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.2 mtpp -86.26 140.71 29.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 73.41 109.282 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.27 17.26 70.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 72.41 111.014 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 70.7 t80 -84.74 174.81 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 74.12 111.012 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 169.62 159.29 0.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 51.45 109.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.481 1.78 . . . . 73.52 111.012 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.303 -0.258 . . . . 74.32 110.303 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -89.86 120.26 30.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.23 110.293 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 6' ' ' VAL . 12.9 m -103.82 149.81 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 75.21 109.944 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.545 HG11 HD22 ' A' ' 55' ' ' LEU . 70.6 t -59.57 137.36 22.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 73.23 109.312 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.75 ' O ' HG22 ' A' ' 23' ' ' THR . 47.6 t -134.59 126.6 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 73.03 109.313 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.679 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -47.76 107.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 64.14 109.303 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.51 -25.28 68.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 72.44 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.404 ' NE2' ' HG2' ' A' ' 21' ' ' MET . 4.1 pt20 -156.04 175.92 13.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 54.42 110.27 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 tp -57.55 113.16 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 72.52 109.26 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.76 HD11 ' O ' ' A' ' 21' ' ' MET . 8.8 mt -113.03 107.92 53.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 63.43 109.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.842 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.01 170.91 19.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 74.44 110.957 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.911 HD12 ' HA ' ' A' ' 47' ' ' GLN . 8.2 tt -72.36 138.12 22.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 74.55 109.294 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 70.0 35.13 2.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 73.21 109.291 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.842 HG21 ' HD2' ' A' ' 12' ' ' PRO . 41.5 m -108.8 114.16 27.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 74.22 110.423 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 18' ' ' THR . . . -54.8 109.35 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 52.15 109.269 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.438 HD21 HG13 ' A' ' 45' ' ' VAL . 78.5 mt -57.01 149.1 19.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 62.41 109.288 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 16' ' ' ALA . 22.2 p -143.59 162.15 36.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 75.22 110.369 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.6 tp -66.51 -11.16 51.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 71.24 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 m -101.33 0.87 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 63.41 109.334 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.76 ' O ' HD11 ' A' ' 11' ' ' ILE . 37.2 mtm -125.52 10.58 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 65.12 110.974 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.5 mtm -139.16 157.79 45.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 75.35 110.993 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.75 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.1 t -161.82 -169.28 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 73.41 110.396 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.42 ' N ' ' OG1' ' A' ' 23' ' ' THR . 23.8 p -125.76 152.41 45.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 74.31 110.404 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.784 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.0 OUTLIER 174.98 108.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 74.31 110.319 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 26' ' ' VAL . 1.5 p -54.3 103.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 55.44 109.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.829 HG21 ' OG1' ' A' ' 54' ' ' THR . 25.2 m -119.76 169.58 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 73.42 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.454 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.3 t -133.6 128.31 19.97 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.145 . . . . 64.13 110.043 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -75.0 162.27 93.18 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.063 -2.474 . . . . 74.24 111.027 0.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p -80.18 148.2 30.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 45.52 110.405 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.417 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -124.83 -145.85 6.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 72.03 110.991 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.66 HD11 ' O ' ' A' ' 56' ' ' MET . 69.2 mt -43.22 138.78 2.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 75.14 109.302 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.99 145.41 31.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 74.02 110.965 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.53 -16.4 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 63.42 109.333 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 -0.52 22.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 74.41 110.291 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.537 ' O ' HD23 ' A' ' 40' ' ' LEU . 14.6 m-20 -109.57 4.39 22.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 72.4 109.29 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.94 -50.05 80.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 71.22 109.294 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.98 -1.62 11.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.509 1.794 . . . . 73.05 111.008 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 69.0 mtp180 -97.45 -41.4 8.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 73.34 110.283 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.798 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -68.25 -27.88 66.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 61.12 109.315 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' A' ' 42' ' ' SER . 1.4 mm -53.99 130.33 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 74.04 109.344 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.4 t 88.76 -22.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 71.44 109.974 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -92.98 133.02 36.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 72.11 110.975 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 4.1 mt-30 -85.1 178.78 7.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 75.01 110.301 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.507 HG21 HG22 ' A' ' 11' ' ' ILE . 3.5 m -107.34 152.33 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 73.1 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.506 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 16.3 p30 -101.98 26.02 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 71.35 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.911 ' HA ' HD12 ' A' ' 13' ' ' ILE . 8.5 tt0 -176.68 148.68 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 65.12 110.292 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.409 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.9 t -65.09 103.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 64.01 109.329 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 47' ' ' GLN . 6.2 t -106.95 103.5 47.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 73.14 109.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 161.86 38.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 74.42 111.016 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttp -58.76 144.61 43.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 75.21 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.82 -10.56 62.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 61.24 110.976 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.3 m -85.56 116.87 24.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 72.43 110.357 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.829 ' OG1' HG21 ' A' ' 27' ' ' VAL . 46.3 m -49.78 143.15 7.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 53.43 110.411 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.545 HD22 HG11 ' A' ' 5' ' ' VAL . 9.0 tp -91.81 132.83 36.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 72.21 109.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.66 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.6 mmt -116.41 158.43 43.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 70.1 110.996 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.595 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.97 -9.64 20.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.809 . . . . 74.41 110.982 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -104.09 10.91 35.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 63.24 109.305 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.444 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 35.5 mtm -121.12 13.16 11.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 71.24 111.001 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.798 HG11 ' CD1' ' A' ' 40' ' ' LEU . 99.4 t -126.3 134.16 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 71.22 109.293 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.506 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -87.91 140.44 29.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 72.52 109.323 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.22 18.56 71.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 51.34 110.984 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.689 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 59.0 t80 -87.34 174.07 8.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 73.52 111.002 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 162.31 157.51 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 63.35 109.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.519 1.8 . . . . 73.23 111.006 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.286 -0.264 . . . . 74.45 110.286 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -82.43 123.16 28.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 52.22 110.302 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.494 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -110.05 149.71 29.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 74.33 110.012 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.781 ' CG1' HD12 ' A' ' 55' ' ' LEU . 95.3 t -61.51 137.6 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 61.13 109.282 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.607 ' O ' HG22 ' A' ' 23' ' ' THR . 33.8 t -135.1 122.2 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 62.43 109.26 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -46.48 106.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 63.33 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.69 68.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 62.22 109.298 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.471 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 3.1 pt20 -153.79 175.8 12.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 73.3 110.35 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 50' ' ' PRO . 10.8 tp -60.18 105.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 74.03 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.883 HD11 ' O ' ' A' ' 21' ' ' MET . 12.9 mt -103.14 107.97 57.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 62.02 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.879 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.04 167.96 25.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.799 . . . . 73.24 111.04 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.9 tt -70.84 141.2 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 65.41 109.304 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 69.55 27.68 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 73.41 109.296 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.879 HG21 ' HD2' ' A' ' 12' ' ' PRO . 27.2 m -103.89 111.85 24.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 55.21 110.386 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 18' ' ' THR . . . -53.75 109.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 71.31 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.466 HD13 ' HB3' ' A' ' 40' ' ' LEU . 70.1 mt -54.48 149.56 10.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 54.43 109.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 16' ' ' ALA . 22.2 p -143.4 161.89 37.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 74.24 110.398 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.4 tp -66.44 -11.43 51.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 73.23 109.255 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 m -100.94 1.02 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 31.45 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.883 ' O ' HD11 ' A' ' 11' ' ' ILE . 32.0 mtm -125.6 9.9 7.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 63.3 111.023 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -141.38 156.92 45.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 62.34 110.999 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 6' ' ' VAL . 14.6 t -161.71 -158.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 63.22 110.392 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.6 p -138.24 150.05 46.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 74.11 110.36 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.437 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.5 tmt_? -179.78 136.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 75.01 110.337 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 26' ' ' VAL . 3.0 t -67.32 97.66 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 55.2 109.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.788 HG21 ' OG1' ' A' ' 54' ' ' THR . 10.0 m -119.59 163.86 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 70.55 109.245 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.431 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.27 130.86 16.21 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 71.54 109.99 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.6 Cg_endo -74.92 163.04 91.59 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.025 -2.489 . . . . 74.02 111.026 -0.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 p -82.09 145.9 29.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 63.44 110.397 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.599 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -122.77 -142.83 6.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.143 . . . . 65.3 111.006 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.671 HG21 HD21 ' A' ' 40' ' ' LEU . 65.0 mt -43.98 139.22 3.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 75.4 109.294 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.04 145.88 31.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 64.44 110.959 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.1 -20.48 58.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 63.11 109.285 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.49 -5.59 29.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 54.22 110.32 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.563 ' O ' HD23 ' A' ' 40' ' ' LEU . 15.9 m-20 -105.57 6.39 32.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 62.14 109.265 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.53 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -51.9 -50.75 76.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 63.14 109.326 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.05 -1.78 11.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 65.5 110.927 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 16.2 mtm180 -97.38 -37.66 9.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 44.23 110.276 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.697 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -72.11 -26.14 62.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 65.41 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.559 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.02 130.98 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 74.42 109.249 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.4 t 86.2 -13.99 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 74.24 109.999 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.8 mtm -100.22 128.4 46.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 74.14 110.999 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.5 mt-30 -80.62 179.55 7.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 71.44 110.296 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.511 HG21 HG22 ' A' ' 11' ' ' ILE . 3.6 m -111.6 144.75 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 74.22 109.33 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -93.22 33.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 74.45 109.318 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.6 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.8 tt0 175.93 149.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.52 110.294 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.413 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -67.7 105.88 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 72.53 109.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 47' ' ' GLN . 5.1 t -105.15 105.37 51.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 54.42 109.279 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.509 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.0 156.79 43.0 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.8 . . . . 73.55 111.007 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 30.0 ttm -56.15 143.72 32.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 64.02 110.985 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 86.52 -12.55 60.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.092 . . . . 54.53 110.973 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.7 m -85.81 115.57 23.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 74.41 110.408 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.788 ' OG1' HG21 ' A' ' 27' ' ' VAL . 32.7 m -49.64 143.54 7.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 74.24 110.434 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.781 HD12 ' CG1' ' A' ' 5' ' ' VAL . 4.8 mt -90.55 132.86 35.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 73.02 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.666 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.2 mmt -115.31 158.19 41.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 75.13 111.05 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.598 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.01 -9.16 20.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 73.51 110.991 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -102.46 8.7 39.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 73.53 109.282 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.444 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 42.4 mtm -120.64 13.37 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 62.43 111.005 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.697 HG11 ' CD1' ' A' ' 40' ' ' LEU . 88.8 t -126.19 133.75 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 64.5 109.288 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.22 150.52 24.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 73.02 109.307 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.74 15.64 20.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 75.14 111.014 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 67.9 t80 -80.98 174.95 11.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 71.24 110.947 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.579 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 173.65 159.19 0.3 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 64.13 109.303 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.549 1.815 . . . . 61.44 111.019 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.257 -0.275 . . . . 74.44 110.257 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.37 114.9 25.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.33 110.316 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.471 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.3 m -102.01 151.13 22.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 74.33 109.991 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.673 HG12 HD23 ' A' ' 55' ' ' LEU . 85.1 t -59.27 142.19 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 64.3 109.269 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.732 ' O ' HG22 ' A' ' 23' ' ' THR . 56.8 t -138.39 125.41 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 70.02 109.292 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.405 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -47.24 105.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 41.41 109.34 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.13 -25.7 68.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 71.24 109.29 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.431 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 2.9 pt20 -156.45 178.36 10.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 72.25 110.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.53 113.45 2.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 55.52 109.304 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.943 HD11 ' O ' ' A' ' 21' ' ' MET . 17.3 mt -113.9 108.55 50.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.163 . . . . 75.53 109.342 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.894 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.97 171.06 19.06 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.45 1.763 . . . . 63.21 111.004 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.95 HD12 ' HA ' ' A' ' 47' ' ' GLN . 5.5 tt -72.25 146.12 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 75.11 109.349 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 62.94 29.19 16.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 73.31 109.276 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.894 HG21 ' HD2' ' A' ' 12' ' ' PRO . 32.1 m -104.5 112.66 25.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 73.24 110.404 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 18' ' ' THR . . . -52.7 110.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 73.12 109.33 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.539 HD21 ' CG1' ' A' ' 45' ' ' VAL . 74.1 mt -57.0 148.67 20.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 75.25 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 16' ' ' ALA . 37.4 p -142.67 161.2 38.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 72.11 110.391 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.9 tp -65.09 -18.45 65.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 62.43 109.307 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.9 m -93.1 1.15 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 42.31 109.292 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.943 ' O ' HD11 ' A' ' 11' ' ' ILE . 14.2 mtm -125.52 6.6 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.3 111.043 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.8 mtm -136.38 154.12 50.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 73.02 111.019 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 6' ' ' VAL . 8.8 t -159.59 -174.03 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 71.04 110.358 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -121.06 150.13 41.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 75.31 110.395 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.32 133.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 73.13 110.312 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.22 87.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 74.24 109.241 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.843 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.6 m -106.67 164.99 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 72.44 109.279 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.439 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.8 t -137.82 130.54 16.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 73.03 109.966 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.439 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.02 163.1 91.5 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.992 -2.503 . . . . 74.42 111.001 0.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 p -77.02 148.37 36.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 71.42 110.365 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.468 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.5 -145.24 6.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 53.43 111.015 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.714 HD11 ' O ' ' A' ' 56' ' ' MET . 59.9 mt -42.86 139.14 2.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 75.21 109.316 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -74.97 146.38 32.69 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 73.31 110.959 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.29 -20.15 57.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 64.21 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -4.17 27.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 74.23 110.284 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.534 ' O ' HD23 ' A' ' 40' ' ' LEU . 11.3 m-20 -107.7 4.39 25.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 71.31 109.279 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.552 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.28 -49.53 84.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 73.21 109.326 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.0 -2.07 12.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 64.34 110.975 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 18.0 mtm180 -97.22 -40.55 8.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 64.43 110.293 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.701 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -69.39 -26.26 64.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 73.11 109.313 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.553 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.17 131.45 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 73.45 109.319 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER 86.8 -14.31 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 73.53 110.043 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -100.3 128.59 46.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 51.42 111.03 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.3 mt-30 -79.28 179.04 7.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 65.54 110.248 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.539 ' CG1' HD21 ' A' ' 17' ' ' LEU . 6.7 m -111.7 144.74 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 72.44 109.369 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.411 ' CB ' ' HD3' ' A' ' 61' ' ' LYS . 18.8 p30 -92.69 28.69 1.96 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 74.21 109.275 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.95 ' HA ' HD12 ' A' ' 13' ' ' ILE . 8.6 tt0 -178.98 148.68 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 73.53 110.273 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.408 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -67.31 106.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.31 109.259 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 47' ' ' GLN . 12.6 t -108.56 101.76 44.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 62.43 109.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 53' ' ' THR . 18.2 Cg_endo -75.01 158.8 41.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 74.41 110.985 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.431 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 15.6 ttp -50.1 145.33 5.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 73.05 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.85 -8.73 61.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 74.05 110.991 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.478 ' HB ' HG12 ' A' ' 49' ' ' VAL . 38.8 m -83.65 112.13 19.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 73.41 110.347 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.843 ' OG1' HG21 ' A' ' 27' ' ' VAL . 99.3 m -49.76 144.52 6.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 74.24 110.364 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.673 HD23 HG12 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -85.7 132.38 34.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 71.24 109.329 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.714 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.3 mmt -120.58 153.23 56.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 53.31 111.038 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.98 -8.03 19.72 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.767 . . . . 63.23 111.023 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.66 9.12 35.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 73.24 109.3 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.529 ' HE2' ' H ' ' A' ' 56' ' ' MET . 30.6 mtm -120.92 11.91 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 71.34 111.0 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.701 HG11 ' CD1' ' A' ' 40' ' ' LEU . 99.3 t -124.96 134.23 67.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 61.13 109.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.411 ' HD3' ' CB ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -86.61 149.46 24.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 65.21 109.278 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.83 16.15 22.93 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.521 1.138 . . . . 52.25 110.994 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 71.0 t80 -78.79 174.58 11.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 70.23 110.975 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.547 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 176.03 158.34 0.42 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 73.23 109.335 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.538 1.809 . . . . 72.11 110.987 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.298 -0.26 . . . . 73.53 110.298 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -101.67 112.52 25.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 72.4 110.269 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.9 m -101.26 152.37 20.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 72.04 109.998 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.535 HG11 ' CD2' ' A' ' 55' ' ' LEU . 79.1 t -61.89 135.51 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 74.32 109.333 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.704 ' O ' HG22 ' A' ' 23' ' ' THR . 52.6 t -131.76 126.03 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 62.13 109.309 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.07 105.4 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 64.21 109.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.25 -26.7 68.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 71.15 109.329 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.486 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 4.3 pt20 -156.5 172.44 18.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 65.25 110.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 50' ' ' PRO . 15.0 tp -50.61 131.58 25.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 70.42 109.243 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.706 HD11 ' O ' ' A' ' 21' ' ' MET . 19.7 mt -135.82 103.57 10.0 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 51.42 109.256 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.715 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.6 Cg_endo -74.93 173.3 14.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 60.24 111.016 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.894 HD12 ' HA ' ' A' ' 47' ' ' GLN . 3.7 tt -69.22 134.92 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 74.41 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 2.2 m120 74.75 31.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 74.44 109.337 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.715 HG21 ' HD2' ' A' ' 12' ' ' PRO . 19.1 m -102.33 109.58 21.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 74.22 110.452 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 18' ' ' THR . . . -54.36 108.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 51.32 109.265 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.462 HD13 ' HB3' ' A' ' 40' ' ' LEU . 62.8 mt -56.2 147.34 20.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 72.23 109.312 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 16' ' ' ALA . 18.7 p -143.47 162.12 36.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 72.13 110.401 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.543 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.8 tp -66.31 -11.11 48.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 71.43 109.275 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -100.72 -0.55 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 75.31 109.297 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.706 ' O ' HD11 ' A' ' 11' ' ' ILE . 28.0 mtm -124.8 9.15 8.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 70.53 111.003 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.41 ' CE ' HG12 ' A' ' 41' ' ' ILE . 77.1 mtm -137.71 155.49 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 74.45 111.004 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.8 t -161.24 -170.84 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 63.12 110.426 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.437 ' N ' ' OG1' ' A' ' 23' ' ' THR . 18.7 p -125.92 148.44 49.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 71.42 110.382 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -177.32 135.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 73.13 110.275 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.03 93.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 74.22 109.272 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.821 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.4 m -113.73 164.79 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 61.14 109.343 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.438 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.2 t -138.03 130.77 16.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 74.22 110.018 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.438 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -75.0 162.89 91.96 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.969 -2.513 . . . . 75.51 111.069 -0.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -79.01 150.4 31.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 73.11 110.416 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.547 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -127.56 -144.54 5.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 70.03 111.03 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.687 HD11 ' O ' ' A' ' 56' ' ' MET . 68.4 mt -43.06 139.74 2.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 74.02 109.258 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.96 145.69 31.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 53.4 111.056 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.38 -20.62 60.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 73.24 109.299 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.03 -5.22 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 74.32 110.309 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.542 ' O ' HD23 ' A' ' 40' ' ' LEU . 12.6 m-20 -105.91 5.77 30.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 75.22 109.272 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.552 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.3 -49.68 83.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 73.22 109.276 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.94 -2.23 12.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 72.34 111.011 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.432 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 17.8 mtm180 -97.22 -39.15 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 71.21 110.317 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.758 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -70.79 -26.02 63.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 54.5 109.285 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.22 130.96 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 51.25 109.319 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER 86.68 -14.26 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 64.01 110.004 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -100.04 130.73 46.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 64.31 111.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.409 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.7 mt-30 -83.82 178.17 8.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.23 110.256 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.556 HG21 HG22 ' A' ' 11' ' ' ILE . 8.1 m -108.78 146.39 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 72.34 109.322 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.438 ' CB ' ' HD3' ' A' ' 61' ' ' LYS . 17.1 p30 -94.06 27.1 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 74.44 109.309 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.894 ' HA ' HD12 ' A' ' 13' ' ' ILE . 8.9 tt0 -176.58 149.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 74.21 110.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 12' ' ' PRO . 3.1 t -67.13 102.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 71.54 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 47' ' ' GLN . 3.0 t -104.0 106.15 51.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 62.14 109.287 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.522 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.03 162.27 37.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 63.21 111.007 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.486 ' HE2' ' HA ' ' A' ' 9' ' ' GLN . 30.5 ttm -61.19 143.1 56.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 71.11 111.044 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.404 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 86.17 -10.4 66.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 71.21 111.016 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.7 m -85.89 116.77 24.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 74.1 110.413 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.821 ' OG1' HG21 ' A' ' 27' ' ' VAL . 62.0 m -49.52 143.12 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 71.34 110.387 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.535 ' CD2' HG11 ' A' ' 5' ' ' VAL . 9.9 tp -90.9 133.05 35.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 72.43 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.699 ' H ' ' HE2' ' A' ' 59' ' ' MET . 5.8 mmt -116.46 158.11 44.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.22 110.974 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.607 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.04 -8.37 19.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.494 1.786 . . . . 73.02 111.012 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -102.9 8.24 39.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 72.14 109.328 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.699 ' HE2' ' H ' ' A' ' 56' ' ' MET . 43.9 mtm -120.61 15.48 11.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 62.11 110.97 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.758 HG11 ' CD1' ' A' ' 40' ' ' LEU . 88.9 t -128.14 133.16 67.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 60.42 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.438 ' HD3' ' CB ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -85.98 149.29 25.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 71.21 109.275 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.83 16.04 29.77 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.472 1.108 . . . . 73.12 110.997 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 68.6 t80 -81.05 174.95 11.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 65.24 110.967 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.572 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 173.79 159.06 0.31 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 75.14 109.305 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 61.43 110.985 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.304 -0.258 . . . . 64.04 110.304 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -90.64 118.15 29.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 53.4 110.317 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.8 m -102.98 154.04 19.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 72.23 109.984 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.855 ' CG1' HD12 ' A' ' 55' ' ' LEU . 81.7 t -63.14 135.42 27.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 64.22 109.316 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.673 ' O ' HG22 ' A' ' 23' ' ' THR . 47.5 t -130.43 125.85 60.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 54.22 109.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.84 106.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 73.44 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.98 -25.11 67.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 73.21 109.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.416 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 4.6 pt20 -156.92 178.1 10.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 75.25 110.299 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 50' ' ' PRO . 7.1 tp -58.37 122.87 14.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 71.42 109.29 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.494 HG23 ' HE3' ' A' ' 21' ' ' MET . 0.9 OUTLIER -122.17 105.24 37.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 75.4 109.305 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.794 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.01 169.12 23.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.783 . . . . 65.3 110.996 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 47' ' ' GLN . 8.2 tt -66.6 138.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 71.55 109.264 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 67.03 40.26 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 52.54 109.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.794 HG21 ' HD2' ' A' ' 12' ' ' PRO . 20.0 m -109.69 113.62 26.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 64.11 110.37 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.423 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -55.68 111.35 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 22.22 109.292 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.686 HD13 ' HB3' ' A' ' 40' ' ' LEU . 82.2 mt -57.54 147.02 28.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 72.5 109.346 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -142.6 160.68 39.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 73.15 110.404 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.538 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.3 tp -66.54 -11.91 55.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 75.03 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.06 1.8 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 73.31 109.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.494 ' HE3' HG23 ' A' ' 11' ' ' ILE . 17.0 mtm -125.32 9.24 7.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 70.32 110.976 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.5 mtm -139.94 154.87 47.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 53.05 110.983 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 6' ' ' VAL . 10.1 t -160.72 -172.13 3.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 74.52 110.393 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.418 ' N ' ' OG1' ' A' ' 23' ' ' THR . 19.7 p -123.65 149.44 45.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 71.32 110.371 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 179.67 135.5 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 74.33 110.287 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 t -67.83 106.35 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 60.32 109.271 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.838 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.1 m -128.01 165.26 27.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 74.03 109.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.481 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.9 t -139.06 130.82 15.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 53.51 109.989 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 162.77 92.18 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.013 -2.495 . . . . 71.2 110.989 -0.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p -79.67 150.29 30.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 75.1 110.456 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.55 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.27 -145.9 6.47 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 73.12 110.978 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.769 HG21 HD21 ' A' ' 40' ' ' LEU . 26.4 mt -44.6 140.11 3.31 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.557 0.798 . . . . 72.35 109.279 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.637 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.97 147.4 33.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.45 1.763 . . . . 74.11 111.044 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.15 -19.66 54.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 74.23 109.297 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.41 -4.61 27.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 72.31 110.275 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.537 ' O ' HD23 ' A' ' 40' ' ' LEU . 11.2 m-20 -107.5 5.52 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 70.24 109.335 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.96 -49.28 88.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 74.44 109.31 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -1.56 11.38 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 63.32 111.012 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.432 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 18.1 mtm180 -97.53 -43.41 7.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 74.02 110.281 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.769 HD21 HG21 ' A' ' 32' ' ' ILE . 3.9 mm? -65.37 -32.14 73.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 72.15 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 42' ' ' SER . 1.5 mm -46.63 128.99 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 74.24 109.323 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.8 m 90.11 -35.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 61.24 109.943 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.445 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 3.5 mmm -74.72 132.4 41.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 44.32 110.997 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 8.5 mt-30 -87.86 164.31 15.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 64.23 110.31 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.433 ' CG1' HD21 ' A' ' 17' ' ' LEU . 17.0 m -94.58 141.38 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 74.3 109.332 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 21.6 p30 -92.42 32.03 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 61.13 109.289 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 49' ' ' VAL . 9.1 tt0 178.29 149.21 0.2 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 64.14 110.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -64.52 102.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 60.42 109.328 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 47' ' ' GLN . 53.6 t -106.9 103.45 47.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 73.1 109.305 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.95 169.82 21.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 70.41 111.036 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.9 ttp -65.77 149.94 49.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 71.01 111.013 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.21 -4.55 62.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 72.24 111.027 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.8 m -93.09 115.59 28.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 74.42 110.399 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.838 ' OG1' HG21 ' A' ' 27' ' ' VAL . 61.6 m -49.58 144.18 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 60.35 110.359 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.855 HD12 ' CG1' ' A' ' 5' ' ' VAL . 5.1 mt -91.08 135.58 33.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 73.35 109.275 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.711 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.9 mmt -119.58 157.39 51.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 73.52 110.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -9.4 20.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 73.23 111.048 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.15 12.94 35.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 51.55 109.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.9 mtm -120.88 4.51 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 75.44 110.977 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.653 HG21 ' CD1' ' A' ' 40' ' ' LEU . 42.5 t -114.66 143.24 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 53.33 109.25 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -88.94 146.25 25.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 65.12 109.289 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.0 28.44 17.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 72.22 111.013 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 50.6 t80 -88.34 174.31 8.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 73.22 110.992 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.65 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.48 161.87 0.35 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 71.41 109.263 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.429 ' HD2' ' HB1' ' A' ' 64' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 72.31 110.966 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 3' ' ' GLU . 11.8 tp60 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.269 -0.271 . . . . 71.44 110.269 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.438 ' O ' ' NE2' ' A' ' 2' ' ' GLN . 5.0 mt-10 -72.54 112.37 8.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 73.02 110.29 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -100.11 147.11 26.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 60.11 109.997 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.602 HG12 ' HB2' ' A' ' 55' ' ' LEU . 77.1 t -59.22 139.46 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 75.41 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.616 ' O ' HG22 ' A' ' 23' ' ' THR . 42.4 t -138.81 124.35 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 75.31 109.32 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -44.1 106.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 60.54 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.11 -26.37 68.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 64.4 109.307 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.484 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 2.8 pt20 -157.17 174.68 15.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 63.43 110.335 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 50' ' ' PRO . 9.3 tp -55.12 119.61 5.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 75.34 109.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.892 HD11 ' O ' ' A' ' 21' ' ' MET . 16.2 mt -121.57 109.57 34.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 62.53 109.251 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.851 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.03 172.19 16.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 63.14 111.009 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.9 tt -73.63 139.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 72.12 109.312 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 70.01 32.68 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 72.44 109.308 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.851 HG21 ' HD2' ' A' ' 12' ' ' PRO . 31.4 m -107.23 111.92 24.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 73.03 110.393 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.414 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.71 108.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 70.4 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.462 HD13 ' HB3' ' A' ' 40' ' ' LEU . 60.5 mt -54.0 149.61 8.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 62.44 109.315 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 p -143.55 161.44 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 73.01 110.427 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 13.0 tp -66.08 -14.47 61.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 62.53 109.325 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -97.91 2.28 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 55.51 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.892 ' O ' HD11 ' A' ' 11' ' ' ILE . 13.8 mtm -125.64 4.01 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 63.03 110.976 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -136.42 157.51 46.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 71.32 110.989 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 6' ' ' VAL . 14.3 t -162.03 -159.65 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 73.32 110.392 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.0 p -133.41 153.81 51.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 54.34 110.397 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.9 tmt_? 177.33 129.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 75.31 110.304 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.98 100.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 64.13 109.294 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.79 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.9 m -120.43 165.71 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 60.35 109.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.435 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.26 130.18 15.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 75.41 110.015 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.435 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.95 164.31 88.66 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.02 -2.492 . . . . 65.24 110.965 -0.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 p -80.39 147.27 31.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 73.33 110.378 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -122.94 -140.49 5.71 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.455 1.097 . . . . 73.44 110.974 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.696 HD11 ' O ' ' A' ' 56' ' ' MET . 65.9 mt -47.43 139.54 7.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.583 0.814 . . . . 71.2 109.31 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.593 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.02 144.65 30.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.456 1.767 . . . . 75.41 110.984 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.91 -20.55 57.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 42.51 109.257 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.26 -4.78 27.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 43.22 110.304 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.544 ' O ' HD23 ' A' ' 40' ' ' LEU . 13.8 m-20 -106.1 5.8 30.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 65.12 109.334 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.538 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.99 -50.3 79.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 71.42 109.338 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.02 -1.95 11.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.548 1.815 . . . . 62.15 110.982 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.437 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 16.4 mtm180 -97.24 -39.02 9.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 72.23 110.313 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.69 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -70.32 -26.56 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 53.4 109.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -55.96 131.63 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 74.21 109.293 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.6 m 85.9 -14.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 54.02 110.003 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.8 mtm -99.03 127.24 44.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 74.33 111.0 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.414 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.5 mt-30 -79.7 -179.27 6.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 65.31 110.324 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.449 ' CG1' HD21 ' A' ' 17' ' ' LEU . 6.2 m -112.15 153.78 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 70.34 109.253 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 15.6 p30 -102.07 25.08 9.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 70.5 109.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.742 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.3 tt0 -177.08 146.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 75.34 110.306 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 12' ' ' PRO . 2.5 t -61.76 106.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 71.03 109.279 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 47' ' ' GLN . 15.9 t -106.75 103.99 49.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 65.33 109.295 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.5 Cg_endo -74.99 165.93 30.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 74.45 111.014 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.484 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 34.5 ttm -63.77 145.47 55.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 72.32 110.969 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 83.57 -9.22 62.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 63.51 111.044 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.8 m -85.54 118.33 25.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 73.23 110.39 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.79 ' OG1' HG21 ' A' ' 27' ' ' VAL . 68.7 m -49.68 144.51 6.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 70.14 110.376 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.602 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -88.96 128.19 35.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 65.22 109.291 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.696 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.9 mmt -111.9 152.91 44.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 60.01 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.02 -12.37 21.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 72.32 111.004 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.31 11.37 36.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 74.15 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.613 ' HE2' ' H ' ' A' ' 56' ' ' MET . 23.1 mtm -119.01 8.95 11.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 70.2 111.046 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.69 HG11 ' CD1' ' A' ' 40' ' ' LEU . 97.1 t -122.78 135.32 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 71.33 109.303 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.487 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.8 mtpp -89.86 135.29 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 73.31 109.283 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.49 17.61 80.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.436 1.085 . . . . 73.14 110.975 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 65.6 t80 -88.36 174.64 8.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 0.729 . . . . 64.53 110.985 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.62 161.24 0.22 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 70.31 109.279 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 64' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 65.44 110.994 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.334 -0.247 . . . . 54.15 110.334 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.29 114.99 24.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 73.44 110.296 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.6 m -102.35 151.9 21.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 52.41 110.02 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.622 HG11 HD22 ' A' ' 55' ' ' LEU . 71.9 t -61.81 134.28 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 74.23 109.293 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.538 ' O ' HG22 ' A' ' 23' ' ' THR . 59.0 t -131.36 127.16 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 23.33 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.447 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -52.19 105.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 64.1 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.62 -25.62 68.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 72.41 109.312 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.435 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 3.3 pt20 -152.43 172.19 16.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 73.12 110.269 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 50' ' ' PRO . 8.2 tp -53.99 133.56 43.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 54.32 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.606 HD11 ' O ' ' A' ' 21' ' ' MET . 19.9 mt -135.77 106.66 9.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 72.33 109.273 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.723 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.05 173.01 15.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 53.53 110.978 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.859 HD12 ' HA ' ' A' ' 47' ' ' GLN . 4.3 tt -69.33 135.93 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 73.32 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.498 ' ND2' HG23 ' A' ' 13' ' ' ILE . 7.7 m-80 73.66 31.96 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 61.43 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.723 HG21 ' HD2' ' A' ' 12' ' ' PRO . 19.0 m -102.2 109.72 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 71.41 110.406 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -54.82 109.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 32.51 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.487 HD21 ' CG1' ' A' ' 45' ' ' VAL . 52.1 mt -55.6 148.27 16.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 74.11 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 p -143.65 162.15 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 55.32 110.41 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.4 tp -66.4 -11.9 54.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 55.11 109.304 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -100.15 0.63 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 70.22 109.297 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.606 ' O ' HD11 ' A' ' 11' ' ' ILE . 19.9 mtm -125.59 6.32 7.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 73.3 111.022 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.444 ' HE3' HG12 ' A' ' 41' ' ' ILE . 77.9 mtm -137.92 157.96 45.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 62.14 111.035 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 6' ' ' VAL . 15.2 t -161.65 -151.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 75.24 110.382 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.498 ' N ' HG23 ' A' ' 23' ' ' THR . 25.3 p -143.69 149.42 37.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 63.35 110.399 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -178.76 144.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 74.11 110.265 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -75.74 100.43 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 74.45 109.286 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.673 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.4 m -122.18 165.77 17.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 62.4 109.293 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.482 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -139.79 130.83 14.45 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 25.34 109.963 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.01 163.13 91.44 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.017 -2.493 . . . . 51.34 110.949 0.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 p -77.73 149.54 34.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 72.52 110.408 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.613 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -127.28 -147.06 6.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 62.41 110.98 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.879 HG21 HD21 ' A' ' 40' ' ' LEU . 30.1 mt -40.24 139.21 1.07 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 72.1 109.285 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.0 144.98 30.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.764 . . . . 62.03 110.995 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.61 -19.21 57.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 45.14 109.236 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.37 -2.52 25.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 72.41 110.304 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.529 ' O ' HD23 ' A' ' 40' ' ' LEU . 21.5 m-20 -109.46 7.75 24.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 55.31 109.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.539 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -49.63 -49.99 69.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 52.45 109.331 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.04 -9.49 20.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 75.01 110.969 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.426 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 10.0 mtm180 -88.12 -36.56 16.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 74.55 110.313 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.879 HD21 HG21 ' A' ' 32' ' ' ILE . 4.0 mm? -73.85 -27.05 60.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 71.24 109.329 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -55.95 131.76 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 63.52 109.27 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.2 m 86.62 -14.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 44.31 110.01 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -99.36 129.86 45.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 74.43 110.981 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.0 mt-30 -83.32 178.48 8.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 71.03 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.536 HG21 HG22 ' A' ' 11' ' ' ILE . 13.1 m -109.85 142.44 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 64.34 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.451 ' ND2' ' C ' ' A' ' 59' ' ' MET . 17.9 p30 -92.23 33.88 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 71.22 109.246 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.859 ' HA ' HD12 ' A' ' 13' ' ' ILE . 9.1 tt0 177.49 149.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 63.54 110.277 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.414 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -66.58 104.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 73.52 109.334 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 47' ' ' GLN . 3.2 t -107.85 102.45 45.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 63.53 109.303 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.626 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.2 Cg_endo -74.97 162.54 37.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 71.22 111.003 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.435 ' HE2' ' HA ' ' A' ' 9' ' ' GLN . 31.3 ttm -57.29 143.6 38.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 72.33 111.017 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.411 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 84.93 -4.63 84.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 64.25 111.037 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.2 m -91.1 116.34 28.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.763 . . . . 73.33 110.426 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.673 ' OG1' HG21 ' A' ' 27' ' ' VAL . 90.6 m -49.98 144.63 6.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 71.43 110.374 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.622 HD22 HG11 ' A' ' 5' ' ' VAL . 8.2 tp -91.59 133.43 35.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 62.11 109.352 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.809 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.3 mmt -119.64 158.08 50.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 72.14 110.96 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.59 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.97 -9.2 20.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.537 1.809 . . . . 71.32 110.97 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -103.66 10.08 36.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 75.51 109.28 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.451 ' C ' ' ND2' ' A' ' 46' ' ' ASN . 35.7 mtm -119.64 8.81 11.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 52.22 111.007 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.625 HG21 HD12 ' A' ' 40' ' ' LEU . 52.4 t -124.07 132.07 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 63.21 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -84.96 149.4 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 74.21 109.315 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.96 12.22 35.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 73.44 110.931 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.608 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 61.8 t80 -79.96 174.61 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 0.735 . . . . 71.52 111.056 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.608 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.58 158.45 0.34 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 72.52 109.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 71.55 111.019 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.299 -0.26 . . . . 72.21 110.299 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.53 114.86 23.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 74.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.5 m -101.26 154.43 18.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 74.53 109.958 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.472 HG11 HD22 ' A' ' 55' ' ' LEU . 71.6 t -63.9 135.46 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 73.32 109.267 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.71 ' O ' HG22 ' A' ' 23' ' ' THR . 47.5 t -131.54 125.56 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 53.3 109.261 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.542 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -48.54 105.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 63.54 109.307 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.31 -26.46 68.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 74.42 109.291 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.477 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 4.7 pt20 -154.57 176.17 12.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 65.15 110.328 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 50' ' ' PRO . 9.3 tp -58.69 114.27 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 74.1 109.307 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.808 HD11 ' O ' ' A' ' 21' ' ' MET . 9.7 mt -113.81 108.1 51.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 75.34 109.293 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.876 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.1 Cg_endo -75.04 165.25 31.66 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 72.22 111.012 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.417 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.3 tt -68.72 139.98 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 73.53 109.354 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 70.5 28.96 3.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 75.22 109.289 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.876 HG21 ' HD2' ' A' ' 12' ' ' PRO . 28.6 m -105.36 112.39 25.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 75.05 110.357 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.1 109.12 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 71.11 109.263 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.454 HD13 ' HB3' ' A' ' 40' ' ' LEU . 64.3 mt -55.05 149.08 12.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 75.4 109.316 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 p -142.61 161.64 37.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 65.2 110.419 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.8 tp -66.15 -12.78 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 72.32 109.286 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.6 m -99.46 1.12 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 60.32 109.28 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.808 ' O ' HD11 ' A' ' 11' ' ' ILE . 16.9 mtm -125.67 10.83 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 75.44 111.028 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.1 mtm -140.74 157.43 45.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 75.4 110.979 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.71 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.2 t -161.97 -167.51 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 70.21 110.427 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.436 ' N ' ' OG1' ' A' ' 23' ' ' THR . 25.8 p -128.62 151.33 49.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 61.1 110.402 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 177.86 136.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 71.4 110.331 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -70.2 105.16 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 71.02 109.302 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.712 HG21 ' OG1' ' A' ' 54' ' ' THR . 13.5 m -126.56 166.49 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 74.11 109.274 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.476 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.6 t -139.36 130.64 14.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 74.42 110.01 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.97 162.71 92.31 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.011 -2.495 . . . . 40.45 110.982 -0.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -80.51 149.76 29.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 74.13 110.419 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.622 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -125.63 -145.41 6.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.117 . . . . 71.51 111.017 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.756 HG21 HD21 ' A' ' 40' ' ' LEU . 69.9 mt -44.17 139.86 3.04 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 55.32 109.301 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.62 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.04 147.36 33.66 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 64.43 111.006 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.02 -19.74 54.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 52.33 109.278 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.7 -4.51 27.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 63.44 110.281 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.526 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.0 m-20 -106.19 4.84 29.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 72.12 109.314 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.543 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.95 -49.96 80.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 73.51 109.337 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -1.44 11.23 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 63.45 111.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 67.8 mtp180 -97.54 -41.15 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 74.52 110.247 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.854 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -68.46 -26.44 65.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 74.35 109.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.14 130.4 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 74.51 109.311 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 87.23 -15.69 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 53.22 109.943 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 1.5 mtm -99.13 129.69 45.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 44.14 110.978 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.8 mt-30 -80.89 177.82 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 61.4 110.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.516 HG21 HG22 ' A' ' 11' ' ' ILE . 3.0 m -108.34 143.0 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 72.13 109.272 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 59' ' ' MET . 20.3 p30 -92.62 32.79 1.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 74.14 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.702 ' O ' HG23 ' A' ' 49' ' ' VAL . 9.6 tt0 175.75 148.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 75.34 110.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.412 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.9 t -64.2 106.95 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 45.13 109.287 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 47' ' ' GLN . 11.9 t -108.83 101.7 45.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 75.01 109.277 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.438 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -74.99 162.68 36.74 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 72.41 110.957 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.477 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 32.0 ttm -59.82 143.53 50.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 61.4 110.987 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.404 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 85.45 -9.97 65.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.566 1.166 . . . . 71.13 110.988 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.9 m -87.56 115.05 24.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 54.21 110.409 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.712 ' OG1' HG21 ' A' ' 27' ' ' VAL . 39.1 m -49.73 144.46 6.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 64.14 110.38 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.472 HD22 HG11 ' A' ' 5' ' ' VAL . 10.0 tp -91.76 135.84 33.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 74.25 109.29 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.723 ' O ' HD11 ' A' ' 32' ' ' ILE . 11.2 mmt -117.94 158.69 45.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 53.14 111.004 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.97 -8.6 20.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 74.5 111.007 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.91 1.65 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 65.22 109.336 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.457 ' C ' ' ND2' ' A' ' 46' ' ' ASN . 34.3 mtm -111.26 9.67 21.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 71.14 110.965 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.854 HG11 ' CD1' ' A' ' 40' ' ' LEU . 86.6 t -124.29 134.5 66.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 42.14 109.299 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.428 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -88.16 150.03 23.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 73.43 109.284 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.43 14.3 33.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 64.01 111.026 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.691 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 53.2 t80 -83.73 173.6 11.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 73.41 111.011 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 162.25 159.28 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 55.25 109.269 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.47 1.774 . . . . 74.43 110.965 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.331 -0.248 . . . . 72.04 110.331 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -98.06 112.32 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 74.2 110.305 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.472 ' O ' HG23 ' A' ' 6' ' ' VAL . 13.2 m -100.9 149.66 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 61.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.578 HG12 ' HB2' ' A' ' 55' ' ' LEU . 60.3 t -59.2 140.19 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 74.01 109.274 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.707 ' O ' HG22 ' A' ' 23' ' ' THR . 57.4 t -136.55 128.48 44.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 75.42 109.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.3 105.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 73.34 109.288 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.22 -27.4 69.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 70.31 109.287 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.34 -174.59 4.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 73.15 110.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 6.8 tp -71.58 104.72 3.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 74.43 109.302 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.969 HD11 ' O ' ' A' ' 21' ' ' MET . 22.5 mt -101.6 109.98 60.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 52.23 109.253 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.885 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.04 170.68 19.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.459 1.768 . . . . 54.13 110.982 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 47' ' ' GLN . 6.7 tt -70.92 144.66 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 70.13 109.324 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.448 HD22 ' N ' ' A' ' 14' ' ' ASN . 1.4 m-80 60.96 36.11 18.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 72.03 109.286 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.885 HG21 ' HD2' ' A' ' 12' ' ' PRO . 48.2 m -110.89 110.88 21.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 64.44 110.382 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -50.5 111.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 54.14 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.437 HD21 ' CG1' ' A' ' 45' ' ' VAL . 61.4 mt -57.52 150.14 19.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 61.43 109.31 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 p -143.51 161.29 38.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 73.44 110.387 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.534 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 8.0 tp -65.38 -17.79 64.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 75.04 109.349 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.79 1.28 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 64.4 109.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.969 ' O ' HD11 ' A' ' 11' ' ' ILE . 43.9 mtm -125.51 5.9 7.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 71.21 111.042 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 67.4 mtm -135.17 157.27 47.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 74.25 110.967 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.707 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.8 t -161.72 -170.11 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 51.42 110.415 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.443 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.6 p -125.41 151.26 46.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 54.51 110.392 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.1 tmt_? 179.11 129.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 72.14 110.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.0 t -67.15 90.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 73.42 109.261 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.826 HG21 ' OG1' ' A' ' 54' ' ' THR . 13.6 m -108.61 165.44 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 75.24 109.325 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.436 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 6.3 t -137.32 130.49 17.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 62.03 110.006 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.94 162.8 92.09 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.04 -2.484 . . . . 75.13 110.997 -0.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -77.34 149.29 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 74.41 110.427 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.75 -143.6 5.88 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.466 1.104 . . . . 72.35 110.995 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.705 HD11 ' O ' ' A' ' 56' ' ' MET . 67.1 mt -43.82 139.73 2.79 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 63.34 109.346 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.62 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -74.99 144.06 29.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.791 . . . . 43.25 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -19.82 55.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 63.1 109.262 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -3.64 25.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 52.4 110.285 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.9 m-20 -108.28 5.56 25.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 64.12 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -50.07 -49.63 74.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 74.11 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.05 -8.64 20.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.511 1.795 . . . . 64.34 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 15.5 mtm180 -89.15 -37.87 14.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 73.42 110.319 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.756 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -72.64 -26.28 61.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 73.3 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.27 131.32 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 75.02 109.329 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER 86.05 -13.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 71.35 109.987 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -99.82 127.04 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 74.52 110.989 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.1 mt-30 -77.96 179.48 6.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 54.43 110.277 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.598 HG21 HG22 ' A' ' 11' ' ' ILE . 2.9 m -112.18 143.8 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 71.52 109.305 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 46' ' ' ASN . 24.2 p30 -92.65 32.55 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 74.25 109.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.85 ' HA ' HD12 ' A' ' 13' ' ' ILE . 9.1 tt0 176.04 149.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 72.23 110.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.415 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -66.2 106.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 60.22 109.273 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 47' ' ' GLN . 15.9 t -109.23 101.05 43.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 74.11 109.35 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 10' ' ' LEU . 18.4 Cg_endo -75.0 166.96 28.1 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.486 1.782 . . . . 44.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.7 ttp -61.04 147.43 43.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 74.34 111.015 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.3 -9.86 60.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 33.13 111.012 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.3 m -87.12 115.37 24.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 60.21 110.382 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.826 ' OG1' HG21 ' A' ' 27' ' ' VAL . 97.0 m -49.55 144.29 6.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 73.42 110.423 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.578 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -87.26 130.19 34.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 62.54 109.268 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.705 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.9 mmt -116.29 154.17 48.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 64.52 110.975 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.01 -11.81 21.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.555 1.818 . . . . 72.32 111.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -100.94 10.36 41.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 73.15 109.28 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.62 ' HE2' ' H ' ' A' ' 56' ' ' MET . 35.4 mtm -120.77 9.37 10.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 72.04 111.006 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.756 HG11 ' CD1' ' A' ' 40' ' ' LEU . 94.7 t -122.67 132.93 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 70.11 109.312 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.455 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -85.36 149.08 25.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 75.13 109.3 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.17 14.53 33.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.547 1.154 . . . . 54.21 110.97 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 69.2 t80 -80.68 174.96 11.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 0.761 . . . . 74.54 111.008 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.565 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 171.77 158.88 0.24 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 42.51 109.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 62.13 111.002 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.294 -0.261 . . . . 63.11 110.294 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -91.46 113.7 26.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 73.3 110.278 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 m -101.28 149.8 23.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 70.45 109.961 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.57 HG12 ' HB2' ' A' ' 55' ' ' LEU . 62.5 t -59.28 139.39 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 60.42 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.704 ' O ' HG22 ' A' ' 23' ' ' THR . 58.4 t -136.37 128.93 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 70.22 109.316 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.443 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -49.24 105.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 75.12 109.304 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.18 -26.48 68.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 71.43 109.306 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.462 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 4.2 pt20 -156.52 175.13 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 72.35 110.306 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tp -55.84 118.08 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 61.44 109.269 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.853 HD11 ' O ' ' A' ' 21' ' ' MET . 13.0 mt -120.05 108.03 39.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.088 . . . . 70.11 109.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.859 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.02 172.06 17.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 70.35 111.013 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.885 HD12 ' HA ' ' A' ' 47' ' ' GLN . 13.1 tt -73.4 140.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 73.24 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 69.77 30.6 3.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 72.15 109.304 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.859 HG21 ' HD2' ' A' ' 12' ' ' PRO . 37.1 m -105.91 112.75 25.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 53.14 110.392 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.72 112.14 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 72.41 109.244 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.78 ' CD1' HD12 ' A' ' 40' ' ' LEU . 68.9 mt -57.31 149.22 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 54.22 109.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 p -142.39 160.83 39.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 75.31 110.413 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HB2' HD11 ' A' ' 41' ' ' ILE . 12.0 tp -66.42 -11.12 50.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 73.12 109.302 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.57 2.37 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 43.14 109.34 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.853 ' O ' HD11 ' A' ' 11' ' ' ILE . 23.3 mtm -125.52 8.75 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 71.02 111.023 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.417 ' SD ' ' CB ' ' A' ' 40' ' ' LEU . 77.9 mtm -137.63 156.63 47.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 74.42 111.019 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.5 t -161.09 -167.19 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 72.33 110.421 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.437 ' N ' ' OG1' ' A' ' 23' ' ' THR . 24.9 p -127.93 152.38 47.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 62.54 110.383 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 178.02 132.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 62.42 110.294 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.84 91.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 74.44 109.31 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.82 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.8 m -110.19 165.03 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 70.23 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.433 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 4.1 t -137.52 130.66 17.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 62.14 110.017 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.93 162.59 92.51 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.048 -2.48 . . . . 72.41 111.017 -0.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -75.82 151.25 37.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 73.21 110.379 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.98 -143.98 5.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 64.51 111.034 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.682 HG23 ' HD2' ' A' ' 33' ' ' PRO . 91.0 mt -45.65 141.24 4.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 75.12 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.96 149.82 37.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.802 . . . . 70.11 111.024 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.25 -15.43 47.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 70.12 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.81 -6.04 50.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 71.42 110.298 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.562 ' O ' HD23 ' A' ' 40' ' ' LEU . 16.4 m-20 -102.52 -3.13 27.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 63.44 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.538 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -44.67 -50.04 25.24 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 70.12 109.299 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.98 -17.62 19.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 62.31 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.464 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 67.0 mtp180 -79.99 -30.31 39.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 75.54 110.36 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.934 HD11 HG21 ' A' ' 60' ' ' VAL . 3.5 mm? -78.23 -29.84 48.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 74.54 109.268 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.2 mm -50.79 127.17 6.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 72.21 109.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.7 p 89.92 -29.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 52.22 110.026 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.412 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 2.3 mtm -84.46 130.17 34.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 74.34 111.017 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.5 mt-30 -83.01 -179.0 7.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 63.11 110.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.619 HG21 HG22 ' A' ' 11' ' ' ILE . 2.5 m -111.02 143.21 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 74.21 109.258 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -92.39 31.85 1.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 62.23 109.328 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.885 ' HA ' HD12 ' A' ' 13' ' ' ILE . 9.3 tt0 177.29 149.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 71.23 110.323 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.409 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.9 t -66.65 104.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 71.31 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 47' ' ' GLN . 11.7 t -106.74 104.48 51.46 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 51.04 109.303 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.76 28.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 64.44 110.978 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 34.8 ttm -61.85 145.39 52.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 72.35 111.0 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.415 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 84.29 -11.53 57.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 51.42 111.008 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.4 m -82.66 117.29 22.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 0.723 . . . . 61.14 110.403 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.82 ' OG1' HG21 ' A' ' 27' ' ' VAL . 99.8 m -49.67 144.12 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 62.3 110.413 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.57 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -88.45 125.63 34.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 72.4 109.329 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.636 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.9 mmt -110.79 154.45 43.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 73.03 111.003 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.604 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.1 Cg_endo -75.02 -15.4 20.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 73.01 110.989 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -99.92 12.34 37.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 74.42 109.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.636 ' HE2' ' H ' ' A' ' 56' ' ' MET . 27.0 mtm -120.94 10.76 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 63.23 111.006 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.934 HG21 HD11 ' A' ' 40' ' ' LEU . 45.4 t -125.87 136.93 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 72.24 109.314 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.437 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -89.89 142.83 27.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.42 109.297 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.21 15.21 67.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.092 . . . . 63.34 110.982 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.701 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 45.8 t80 -86.39 173.64 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 75.21 111.02 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 161.85 160.45 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 71.32 109.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 64.12 111.031 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.332 -0.248 . . . . 75.13 110.332 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -87.62 117.34 26.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 75.05 110.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.7 m -102.64 154.24 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 52.1 109.97 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.854 ' CG1' HD12 ' A' ' 55' ' ' LEU . 77.7 t -63.46 136.84 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 41.43 109.274 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.724 ' O ' HG22 ' A' ' 23' ' ' THR . 45.9 t -131.88 125.15 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 63.42 109.315 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.72 105.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 72.35 109.313 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.07 -27.95 69.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 54.52 109.334 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.462 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 0.2 OUTLIER -148.16 175.91 10.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 73.22 110.293 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 50' ' ' PRO . 7.2 tp -63.59 103.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 75.22 109.277 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.936 HD11 ' O ' ' A' ' 21' ' ' MET . 18.7 mt -99.67 109.14 54.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 75.34 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.873 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -74.99 169.14 23.29 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.497 1.788 . . . . 72.11 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 tt -71.19 141.83 16.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 70.34 109.324 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 66.78 31.41 7.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 64.24 109.298 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.873 HG21 ' HD2' ' A' ' 12' ' ' PRO . 26.7 m -107.34 112.11 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 75.21 110.373 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.411 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.92 110.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 72.15 109.31 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.422 ' CD2' HG21 ' A' ' 11' ' ' ILE . 62.5 mt -56.96 148.02 22.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 72.52 109.256 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 16' ' ' ALA . 21.7 p -141.3 161.68 37.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 42.2 110.365 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.55 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.2 tp -66.15 -13.09 59.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 64.25 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -98.24 0.45 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 62.13 109.301 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.936 ' O ' HD11 ' A' ' 11' ' ' ILE . 34.0 mtm -125.59 9.31 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 65.13 111.014 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.437 ' CE ' HG12 ' A' ' 41' ' ' ILE . 75.3 mtm -137.14 154.8 50.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 73.23 111.007 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.2 t -161.62 -173.2 3.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 74.41 110.402 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.429 ' N ' ' OG1' ' A' ' 23' ' ' THR . 18.3 p -123.72 149.17 45.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 54.04 110.446 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.448 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.1 tmt_? 179.89 132.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 65.22 110.299 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 t -65.7 106.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 53.33 109.29 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.856 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.4 m -128.12 165.17 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 70.55 109.334 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.48 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.0 t -138.38 130.75 16.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 63.43 110.016 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.0 162.78 92.18 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.027 -2.489 . . . . 72.33 110.999 0.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 p -79.85 150.28 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 75.53 110.391 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.575 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.44 -146.37 6.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 65.03 110.977 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.753 HG21 HD21 ' A' ' 40' ' ' LEU . 62.7 mt -43.76 139.74 2.74 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.457 0.739 . . . . 74.45 109.275 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.03 147.77 34.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 74.31 110.992 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.11 -19.74 54.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 74.22 109.305 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -71.61 -4.48 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 71.11 110.31 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.531 ' O ' HD23 ' A' ' 40' ' ' LEU . 8.9 m-20 -106.55 4.71 28.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 71.35 109.323 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.26 -49.72 83.38 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 60.4 109.319 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.04 -1.52 11.34 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 73.33 111.006 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 66.0 mtp180 -97.6 -41.2 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 54.11 110.305 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.809 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -68.35 -26.56 65.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 70.14 109.334 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.55 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.5 mm -55.64 130.17 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 60.41 109.269 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 87.56 -16.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 71.23 109.991 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 1.5 mtm -98.2 129.62 44.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 75.14 111.007 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.2 mt-30 -80.57 179.05 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 63.35 110.302 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.608 HG21 HG22 ' A' ' 11' ' ' ILE . 2.5 m -109.73 143.23 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 65.32 109.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -92.4 32.96 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 61.32 109.301 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.483 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.9 tt0 175.32 149.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 75.13 110.299 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.409 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.5 t -66.36 107.41 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 64.45 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 47' ' ' GLN . 62.8 t -106.03 104.43 49.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 63.43 109.267 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.497 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.98 151.19 39.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 63.32 110.984 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 32.8 ttm -50.03 142.91 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 61.34 110.993 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.406 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 85.95 -12.32 60.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.559 1.162 . . . . 71.03 110.982 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.4 m -83.93 115.41 22.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 63.44 110.379 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.856 ' OG1' HG21 ' A' ' 27' ' ' VAL . 45.3 m -50.67 142.94 10.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 74.42 110.437 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.854 HD12 ' CG1' ' A' ' 5' ' ' VAL . 5.8 mt -89.47 134.41 34.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 72.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.751 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.0 mmt -116.76 158.08 44.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 71.1 110.977 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.595 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.97 -9.96 21.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.821 . . . . 72.22 111.055 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -104.63 11.44 34.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 73.54 109.32 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.449 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 32.5 mtm -120.75 5.11 10.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 74.3 111.011 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.809 HG11 ' CD1' ' A' ' 40' ' ' LEU . 96.4 t -119.33 137.22 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 74.21 109.301 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -89.69 146.75 24.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 72.43 109.294 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.64 16.05 54.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.55 1.156 . . . . 61.24 111.029 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.695 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 50.3 t80 -85.32 173.6 10.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 74.23 110.973 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 161.96 160.44 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 60.21 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 72.42 110.99 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.265 -0.272 . . . . 71.52 110.265 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -85.33 112.81 21.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 72.21 110.292 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -101.97 149.46 24.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 65.21 110.02 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.731 HG11 HD23 ' A' ' 55' ' ' LEU . 61.1 t -61.34 135.86 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 70.21 109.283 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.808 ' O ' HG22 ' A' ' 23' ' ' THR . 44.9 t -132.81 124.14 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 51.14 109.312 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.47 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -48.34 105.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 35.12 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.31 -26.04 68.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 64.31 109.275 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.482 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 1.5 pt20 -156.62 169.81 23.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 72.32 110.324 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 50' ' ' PRO . 14.8 tp -49.34 128.05 16.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 54.4 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.754 HD11 ' O ' ' A' ' 21' ' ' MET . 14.9 mt -130.26 106.2 16.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 73.04 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.773 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.05 173.31 14.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.504 1.792 . . . . 75.53 110.969 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 47' ' ' GLN . 3.9 tt -67.75 143.67 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 71.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.529 HD22 ' N ' ' A' ' 14' ' ' ASN . 1.2 m-80 60.96 40.34 15.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 74.42 109.338 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.773 HG21 ' HD2' ' A' ' 12' ' ' PRO . 18.3 m -106.65 108.85 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 72.15 110.372 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -51.9 105.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 75.23 109.331 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.448 HD21 ' CG1' ' A' ' 45' ' ' VAL . 67.2 mt -55.43 148.05 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 72.14 109.317 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -143.39 162.21 36.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 51.42 110.362 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.0 tp -66.86 -12.09 57.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 75.04 109.256 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.77 1.03 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 54.02 109.335 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.754 ' O ' HD11 ' A' ' 11' ' ' ILE . 19.4 mtm -125.52 9.59 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 71.01 111.01 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -138.36 157.91 45.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 62.2 111.005 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 6' ' ' VAL . 8.9 t -161.69 -173.65 3.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 72.13 110.343 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -124.48 150.11 46.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 72.51 110.392 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.535 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.0 OUTLIER 179.27 129.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 74.13 110.302 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 t -63.87 102.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 75.01 109.289 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.816 HG21 ' OG1' ' A' ' 54' ' ' THR . 13.4 m -122.56 165.68 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 52.43 109.301 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.433 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.6 t -137.55 130.43 16.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 74.4 110.006 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.0 162.47 92.79 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.947 -2.522 . . . . 62.54 111.047 -0.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -78.9 144.51 34.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 75.23 110.416 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.508 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -122.58 -144.6 6.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 70.33 111.008 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.491 HG22 ' CG2' ' A' ' 5' ' ' VAL . 13.9 mt -41.38 137.44 1.69 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 62.12 109.329 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.0 143.97 29.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 70.21 110.992 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.37 -19.64 56.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 65.35 109.281 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.01 -3.43 26.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 51.22 110.294 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.516 ' O ' HD23 ' A' ' 40' ' ' LEU . 19.6 m-20 -108.93 6.28 25.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 74.11 109.275 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.551 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.14 -49.55 83.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 60.23 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.98 -2.05 12.03 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 73.25 111.001 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 18.4 mtm180 -97.38 -39.92 8.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 75.03 110.303 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.72 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -69.63 -25.83 64.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 74.13 109.304 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.06 131.3 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 64.13 109.315 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.2 t 86.39 -14.05 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 65.51 109.962 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mtm -99.38 130.68 45.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 53.12 111.029 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 4.9 mt-30 -82.84 174.0 11.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.32 110.317 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.616 HG21 HG22 ' A' ' 11' ' ' ILE . 5.0 m -105.33 144.0 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 75.23 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.454 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 20.2 p30 -93.37 34.34 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 62.02 109.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.677 ' HA ' HD12 ' A' ' 13' ' ' ILE . 10.0 tt0 175.77 151.21 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 71.33 110.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.412 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 3.3 t -68.88 102.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 72.13 109.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 47' ' ' GLN . 10.6 t -103.55 106.67 53.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 74.53 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.576 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.99 162.25 37.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 72.02 111.01 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.482 ' HE2' ' HA ' ' A' ' 9' ' ' GLN . 30.5 ttm -61.96 143.04 57.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 74.51 110.958 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.99 -9.32 69.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 70.34 111.055 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.8 m -87.96 116.97 26.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 63.22 110.418 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.816 ' OG1' HG21 ' A' ' 27' ' ' VAL . 79.5 m -49.65 144.05 6.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 53.12 110.436 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.731 HD23 HG11 ' A' ' 5' ' ' VAL . 7.8 tp -91.41 137.16 32.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 74.25 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.508 ' HE2' ' HA3' ' A' ' 31' ' ' GLY . 7.1 mmt -118.88 157.93 49.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 63.12 111.041 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.597 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -8.57 20.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.781 . . . . 72.43 111.043 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.28 0.01 33.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 70.32 109.317 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.48 ' HE3' ' H ' ' A' ' 56' ' ' MET . 37.9 mtm -109.75 11.24 24.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 74.4 111.028 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.72 HG11 ' CD1' ' A' ' 40' ' ' LEU . 96.2 t -124.52 135.3 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 34.41 109.312 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -88.35 149.92 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 74.12 109.298 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.4 14.57 27.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 52.53 111.075 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 63.6 t80 -80.42 174.53 11.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.783 . . . . 74.53 111.013 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.583 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.4 159.93 0.34 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 65.23 109.313 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 75.04 111.036 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.301 -0.259 . . . . 75.33 110.301 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -93.66 115.31 27.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 74.43 110.315 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 6' ' ' VAL . 16.2 m -102.43 149.24 24.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 70.42 109.98 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.568 HG12 ' HB2' ' A' ' 55' ' ' LEU . 65.2 t -59.19 138.87 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 71.3 109.315 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.554 ' O ' HG22 ' A' ' 23' ' ' THR . 67.5 t -135.79 126.66 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 71.34 109.279 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.431 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -47.18 106.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 61.32 109.265 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.58 -25.8 68.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 54.51 109.272 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.415 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 4.0 pt20 -156.5 178.28 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 73.52 110.301 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 50' ' ' PRO . 10.5 tp -59.08 113.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 72.32 109.322 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.901 HD11 ' O ' ' A' ' 21' ' ' MET . 17.6 mt -113.07 107.84 53.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 74.52 109.254 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.903 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.01 171.05 19.07 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 55.23 111.002 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 tt -72.15 146.0 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 63.05 109.348 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 63.4 28.55 15.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 72.15 109.273 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.903 HG21 ' HD2' ' A' ' 12' ' ' PRO . 31.8 m -104.19 111.74 24.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 74.41 110.397 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 18' ' ' THR . . . -53.59 111.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 54.34 109.277 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD21 ' CG1' ' A' ' 45' ' ' VAL . 55.1 mt -55.93 149.78 14.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 65.43 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 16' ' ' ALA . 24.6 p -143.42 161.5 38.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 74.22 110.363 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.541 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.4 tp -65.61 -15.35 62.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 65.24 109.307 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 m -96.15 1.0 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 74.34 109.293 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.901 ' O ' HD11 ' A' ' 11' ' ' ILE . 16.8 mtm -125.61 6.76 7.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 73.54 110.993 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.2 mtm -138.61 157.5 46.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 73.02 110.991 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 6' ' ' VAL . 15.4 t -161.47 -155.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 75.34 110.408 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.42 ' N ' HG23 ' A' ' 23' ' ' THR . 29.9 p -138.31 152.89 48.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 75.22 110.46 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? 176.78 136.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 73.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.9 100.08 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 71.51 109.332 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.621 HG21 ' OG1' ' A' ' 54' ' ' THR . 13.2 m -120.26 166.47 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 74.23 109.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.479 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -139.48 130.74 14.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 70.22 110.028 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.96 162.7 92.32 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.965 -2.514 . . . . 70.44 111.033 -0.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -77.91 150.3 34.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 75.43 110.385 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.87 -143.61 5.86 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.505 1.128 . . . . 71.42 111.033 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.671 HG21 HD21 ' A' ' 40' ' ' LEU . 88.4 mt -45.64 140.4 4.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.431 0.724 . . . . 75.2 109.264 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.645 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.91 145.73 32.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.449 1.763 . . . . 75.43 110.99 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.41 -20.87 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 75.22 109.267 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.01 -5.22 29.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 64.12 110.331 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.544 ' O ' HD23 ' A' ' 40' ' ' LEU . 12.8 m-20 -105.99 6.44 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 54.11 109.346 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -49.53 -50.04 68.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 74.12 109.292 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -10.52 21.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.568 1.825 . . . . 72.1 110.996 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 13.2 mtm180 -86.38 -36.49 19.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 72.11 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.73 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.1 mm? -74.53 -27.21 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.23 109.338 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.541 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -55.96 130.82 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 42.42 109.321 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.3 m 86.52 -14.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 63.2 110.01 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.5 mtm -99.97 127.71 46.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 74.21 110.995 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 4.2 mt-30 -79.45 -179.83 7.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 71.14 110.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.498 HG21 HG22 ' A' ' 11' ' ' ILE . 3.7 m -112.76 143.67 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 33.42 109.274 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.503 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 17.1 p30 -91.87 33.32 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 54.35 109.356 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.627 ' O ' HG23 ' A' ' 49' ' ' VAL . 9.1 tt0 175.66 148.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 65.3 110.286 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.407 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -66.95 104.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 74.13 109.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 47' ' ' GLN . 13.8 t -106.64 105.35 54.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 64.13 109.333 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.48 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.05 166.5 29.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 62.41 110.998 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.415 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 16.6 ttp -62.21 146.7 50.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 54.24 111.037 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.2 -9.45 60.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 61.11 110.992 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.0 m -85.39 118.56 25.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 64.44 110.379 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.621 ' OG1' HG21 ' A' ' 27' ' ' VAL . 61.8 m -50.26 144.05 7.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 75.44 110.394 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.568 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -88.66 125.99 35.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 72.43 109.324 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.6 ' H ' ' HE2' ' A' ' 59' ' ' MET . 5.9 mmt -112.41 153.99 44.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 65.14 110.958 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.625 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.02 -8.81 20.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 74.15 110.979 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.19 0.26 40.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 71.24 109.328 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.6 ' HE2' ' H ' ' A' ' 56' ' ' MET . 43.9 mtm -114.11 20.87 15.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.53 111.003 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.73 HG11 ' CD1' ' A' ' 40' ' ' LEU . 95.6 t -132.81 128.82 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 73.22 109.266 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.18 150.41 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 71.42 109.315 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.7 14.96 24.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 51.52 110.995 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 66.7 t80 -80.21 174.71 11.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 0.785 . . . . 74.21 110.996 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.566 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 175.03 159.66 0.37 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 52.01 109.321 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.113 0 O-C-N 124.479 1.778 . . . . 73.55 110.966 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.492 0.187 . . . . 50.45 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -115.62 131.4 56.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 71.21 109.275 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -76.56 114.13 14.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 72.31 110.327 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -90.89 114.67 27.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 73.02 110.281 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.2 m -101.93 155.46 18.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 71.32 109.981 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.827 ' CG1' HD12 ' A' ' 55' ' ' LEU . 81.1 t -64.17 136.13 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 70.21 109.309 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.689 ' O ' HG22 ' A' ' 23' ' ' THR . 43.1 t -132.46 124.58 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 53.04 109.317 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.7 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -48.73 106.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 72.02 109.289 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.38 -25.99 68.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 52.31 109.275 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.476 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 3.4 pt20 -157.71 173.11 17.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 74.04 110.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 50' ' ' PRO . 15.5 tp -48.67 131.55 17.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 75.04 109.283 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.7 HD12 ' HB1' ' A' ' 7' ' ' ALA . 9.9 mt -135.99 104.02 9.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 53.21 109.274 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.743 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.0 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.797 . . . . 62.44 111.019 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 47' ' ' GLN . 3.0 tt -68.26 139.71 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 43.43 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 66.02 38.85 4.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 63.52 109.318 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.743 HG21 ' HD2' ' A' ' 12' ' ' PRO . 15.9 m -106.03 110.5 22.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 53.33 110.386 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.41 107.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 73.23 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.448 HD21 HG13 ' A' ' 45' ' ' VAL . 65.3 mt -58.02 147.79 28.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 53.52 109.348 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.8 p -143.49 162.1 36.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 71.53 110.391 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.552 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.3 tp -66.32 -11.82 53.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 65.14 109.287 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 m -100.37 0.18 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 64.23 109.336 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.567 ' O ' HD11 ' A' ' 11' ' ' ILE . 18.0 mtm -125.29 10.52 8.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 73.41 110.989 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.1 mtm -139.96 155.65 47.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 63.22 111.008 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.8 t -161.63 -169.3 2.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 65.01 110.418 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.446 ' N ' ' OG1' ' A' ' 23' ' ' THR . 17.9 p -127.09 148.89 50.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 72.11 110.416 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -178.17 137.89 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 74.03 110.323 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.7 t -70.21 101.75 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 73.53 109.287 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.836 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.5 m -123.54 164.84 20.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 64.41 109.301 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.434 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.5 t -139.0 130.99 15.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 73.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.0 162.74 92.24 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.005 -2.498 . . . . 73.42 111.017 -0.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 p -79.04 150.28 31.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 74.53 110.441 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.555 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.65 -145.7 6.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 52.43 110.996 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.678 HG21 HD21 ' A' ' 40' ' ' LEU . 68.0 mt -43.37 139.7 2.42 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 72.11 109.285 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.599 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -75.02 146.85 33.06 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.454 1.765 . . . . 64.12 110.989 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.2 -19.95 56.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 52.22 109.325 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.46 -4.87 28.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 63.15 110.287 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.561 ' O ' HD23 ' A' ' 40' ' ' LEU . 13.7 m-20 -106.36 5.15 29.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 74.43 109.307 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.19 -50.2 80.43 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 72.54 109.293 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.96 -2.07 12.05 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.491 1.785 . . . . 53.44 111.004 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 69.2 mtp180 -97.4 -38.86 9.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 75.42 110.32 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.78 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -70.85 -25.57 62.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 65.13 109.304 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.552 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.26 130.42 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 72.05 109.293 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.3 t 86.9 -14.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 72.33 109.998 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.459 ' HE2' HD13 ' A' ' 40' ' ' LEU . 1.5 mtm -98.66 131.0 45.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 74.34 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.2 mt-30 -84.02 174.67 10.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 65.23 110.293 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.585 HG21 HG22 ' A' ' 11' ' ' ILE . 3.7 m -104.19 152.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 75.12 109.308 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.493 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 27.1 p30 -101.72 29.35 4.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 74.12 109.311 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.597 ' O ' HG23 ' A' ' 49' ' ' VAL . 7.9 tt0 -179.92 151.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 73.32 110.292 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.464 HG22 ' HA ' ' A' ' 12' ' ' PRO . 3.4 t -69.65 100.77 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 64.11 109.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 47' ' ' GLN . 2.9 t -102.64 107.23 53.4 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 73.22 109.282 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.508 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.0 Cg_endo -75.05 159.98 40.55 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.466 1.772 . . . . 75.24 110.96 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.476 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 31.6 ttm -56.94 142.67 40.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 72.1 110.99 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 86.1 -11.28 63.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.452 1.095 . . . . 54.23 111.039 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.5 m -83.69 114.64 21.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 71.51 110.384 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.836 ' OG1' HG21 ' A' ' 27' ' ' VAL . 56.5 m -49.68 141.87 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 75.23 110.409 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.827 HD12 ' CG1' ' A' ' 5' ' ' VAL . 5.4 mt -89.25 134.07 34.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 75.44 109.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.678 ' O ' HD11 ' A' ' 32' ' ' ILE . 8.6 mmt -115.06 157.88 42.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 73.14 110.976 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.591 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.03 -9.33 20.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 62.23 111.009 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -106.44 11.95 30.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 72.12 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.444 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 28.0 mtm -120.83 8.67 10.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 63.41 110.968 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.78 HG11 ' CD1' ' A' ' 40' ' ' LEU . 96.7 t -120.87 134.5 64.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 71.34 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.493 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.8 mtpp -89.84 131.29 35.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 73.43 109.275 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 78.25 18.68 75.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.539 1.15 . . . . 33.13 110.988 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.695 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 58.2 t80 -89.53 173.84 8.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 74.1 111.011 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 161.64 159.08 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 71.34 109.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -161.97 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.792 . . . . 74.15 111.037 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 64.33 109.288 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 23.6 ttm . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.521 0.2 . . . . 71.41 110.958 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -132.21 121.76 24.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 71.33 109.284 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -96.1 113.39 25.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 74.52 110.304 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -83.76 113.19 20.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 41.14 110.306 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.463 ' O ' HG23 ' A' ' 6' ' ' VAL . 13.6 m -101.85 152.67 20.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.43 110.009 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.599 HG12 ' HB2' ' A' ' 55' ' ' LEU . 72.0 t -60.7 139.33 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 51.43 109.312 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.621 ' O ' HG22 ' A' ' 23' ' ' THR . 61.8 t -136.57 128.74 44.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 71.01 109.321 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.493 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -49.87 106.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 53.34 109.296 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.12 -26.04 68.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 54.13 109.333 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.438 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 7.5 pt20 -157.83 177.05 11.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 50.21 110.312 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 50' ' ' PRO . 8.4 tp -56.99 119.35 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 74.52 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.751 HD11 ' O ' ' A' ' 21' ' ' MET . 10.6 mt -120.14 109.08 37.55 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 71.24 109.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.863 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.99 171.02 19.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.789 . . . . 61.3 110.977 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.4 tt -73.04 139.5 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 73.02 109.28 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 69.8 31.79 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 62.14 109.338 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.863 HG21 ' HD2' ' A' ' 12' ' ' PRO . 28.9 m -106.36 111.39 23.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 71.21 110.388 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 18' ' ' THR . . . -52.75 109.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 62.21 109.318 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.468 ' CD1' HD12 ' A' ' 40' ' ' LEU . 62.0 mt -54.73 149.27 11.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 63.2 109.305 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 16' ' ' ALA . 24.5 p -142.92 161.94 36.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 73.13 110.393 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.8 tp -66.28 -12.74 58.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 72.14 109.28 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.431 ' O ' ' NE2' ' A' ' 9' ' ' GLN . 2.4 m -99.3 0.98 10.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 54.12 109.272 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.751 ' O ' HD11 ' A' ' 11' ' ' ILE . 15.3 mtm -125.62 10.33 7.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 73.34 111.021 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.2 mtm -140.21 155.89 46.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.44 110.954 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 6' ' ' VAL . 8.8 t -161.77 -166.85 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 42.44 110.429 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.434 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.3 p -127.58 152.11 48.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 73.34 110.409 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 179.62 139.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 72.1 110.301 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.55 92.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 73.12 109.327 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.789 HG21 ' OG1' ' A' ' 54' ' ' THR . 9.2 m -113.28 163.37 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 74.53 109.273 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.451 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.74 131.35 15.85 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 71.31 109.967 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.451 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.93 162.64 92.41 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 121.005 -2.498 . . . . 75.21 111.058 -0.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -75.85 153.07 37.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 41.12 110.408 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.39 -140.91 5.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 53.32 110.976 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.759 HD11 ' O ' ' A' ' 56' ' ' MET . 38.7 mt -48.21 142.39 7.87 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 74.31 109.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.726 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.03 146.41 32.52 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.482 1.78 . . . . 55.21 110.962 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.15 -20.1 62.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 42.34 109.305 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -72.84 -5.81 40.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 74.15 110.356 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.54 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.4 m-20 -105.16 2.62 29.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 73.13 109.281 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -47.6 -49.29 56.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 71.32 109.319 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.0 -13.7 21.35 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 70.2 110.992 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 12.8 mtm180 -83.56 -34.01 25.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 74.35 110.344 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.779 ' CD1' HG21 ' A' ' 60' ' ' VAL . 3.7 mm? -75.25 -27.01 59.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 71.22 109.266 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.7 mm -55.76 130.91 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 73.35 109.282 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.518 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 86.33 -14.75 0.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 65.21 109.999 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -97.97 127.39 43.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 74.43 111.004 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.6 mt-30 -80.86 179.66 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 52.53 110.3 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.448 HG21 HG22 ' A' ' 11' ' ' ILE . 4.4 m -110.73 150.33 13.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 61.44 109.304 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 17.9 p30 -99.38 27.55 5.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 75.33 109.307 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.703 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.3 tt0 -178.63 147.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 74.34 110.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.65 102.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 75.4 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 47' ' ' GLN . 15.9 t -104.99 105.47 51.58 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 70.14 109.31 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.453 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -74.99 167.81 26.23 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 62.13 111.011 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.438 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 8.3 ttp -64.69 148.53 50.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 60.43 111.009 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.46 -7.21 61.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 63.05 111.052 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.5 m -88.77 119.13 28.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 64.32 110.377 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.789 ' OG1' HG21 ' A' ' 27' ' ' VAL . 87.5 m -49.72 144.4 6.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 63.25 110.37 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.599 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -89.12 124.9 34.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 61.41 109.302 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.759 ' O ' HD11 ' A' ' 32' ' ' ILE . 8.2 mmt -108.52 152.94 42.34 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 73.53 111.006 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.592 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -14.57 21.14 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.475 1.776 . . . . 60.42 111.02 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -100.96 12.75 37.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 51.5 109.294 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.622 ' HE2' ' H ' ' A' ' 56' ' ' MET . 24.5 mtm -120.61 7.4 10.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 72.11 111.02 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.779 HG21 ' CD1' ' A' ' 40' ' ' LEU . 42.7 t -121.58 135.11 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 73.11 109.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.487 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.8 mtpp -89.49 136.2 33.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 70.01 109.275 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.65 15.48 81.53 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 63.45 110.999 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 45.4 t80 -87.79 174.38 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 0.762 . . . . 60.32 111.024 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.623 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.02 159.69 0.32 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 44.25 109.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -162.24 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.441 1.758 . . . . 74.4 111.052 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 53.43 109.282 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.2 ptp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.511 0.196 . . . . 60.14 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -80.33 128.86 34.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 71.1 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -48.83 116.25 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 72.45 110.27 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -96.84 115.9 28.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 74.41 110.309 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.9 m -101.45 150.46 23.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 63.35 110.009 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.603 HG11 HD22 ' A' ' 55' ' ' LEU . 78.0 t -61.11 134.44 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 62.3 109.31 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.764 ' O ' HG22 ' A' ' 23' ' ' THR . 61.2 t -129.86 126.11 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 53.52 109.346 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.91 104.75 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 73.03 109.307 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.08 -26.9 69.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 62.12 109.321 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.439 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 5.0 pt20 -154.25 176.28 12.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 73.21 110.298 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 50' ' ' PRO . 9.8 tp -56.57 119.65 6.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 61.32 109.255 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.473 HG21 HD23 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -117.14 105.22 49.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 74.2 109.314 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.873 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.99 161.57 38.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.458 1.767 . . . . 61.43 110.984 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.49 HG23 ' ND2' ' A' ' 14' ' ' ASN . 2.0 tt -66.05 140.19 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 74.52 109.306 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.49 ' ND2' HG23 ' A' ' 13' ' ' ILE . 8.1 m-80 69.68 29.89 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 62.12 109.322 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.873 HG21 ' HD2' ' A' ' 12' ' ' PRO . 32.3 m -106.29 112.07 24.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 75.34 110.461 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.53 109.74 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 61.32 109.336 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.473 HD23 HG21 ' A' ' 11' ' ' ILE . 61.7 mt -54.9 149.8 11.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 74.02 109.304 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 p -143.42 161.63 37.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 71.34 110.399 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.0 tp -66.02 -14.78 62.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 64.33 109.326 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -97.58 1.68 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 63.23 109.289 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.403 ' O ' HD11 ' A' ' 11' ' ' ILE . 16.2 mtm -125.67 8.89 7.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 74.32 111.005 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -138.63 158.23 44.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 73.41 110.984 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 6' ' ' VAL . 10.3 t -161.77 -167.9 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 61.01 110.403 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.441 ' N ' ' OG1' ' A' ' 23' ' ' THR . 22.1 p -129.44 149.5 51.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 52.35 110.375 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 179.15 135.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 74.11 110.321 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.97 103.2 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 62.54 109.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.697 HG21 ' OG1' ' A' ' 54' ' ' THR . 14.9 m -123.6 167.06 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 43.14 109.284 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.474 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 6.8 t -139.23 130.39 14.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 75.11 109.99 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.95 162.86 91.98 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.988 -2.505 . . . . 70.22 111.028 -0.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -80.5 148.83 30.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.14 110.409 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.626 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.39 -145.94 6.46 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 24.43 110.992 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.67 HD11 ' O ' ' A' ' 56' ' ' MET . 66.6 mt -41.3 138.83 1.45 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 74.45 109.329 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.578 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.97 144.94 30.94 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 52.34 110.984 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.28 -20.29 58.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 75.21 109.302 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.28 -5.16 30.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 70.25 110.282 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.545 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.5 m-20 -106.24 6.65 30.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 65.15 109.337 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.03 -50.28 79.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 62.12 109.298 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.01 -1.91 11.85 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.436 1.756 . . . . 71.2 110.981 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 16.6 mtm180 -97.23 -38.83 9.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 74.11 110.312 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.748 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -70.78 -26.51 63.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 63.45 109.311 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -55.81 131.22 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 74.11 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.4 t 86.49 -14.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 64.5 109.967 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mtm -99.28 128.22 45.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 63.14 110.987 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.3 mt-30 -80.21 179.42 7.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 71.02 110.304 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.439 ' O ' ' CE ' ' A' ' 61' ' ' LYS . 2.9 m -110.85 143.01 21.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 72.02 109.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -92.72 31.41 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 72.03 109.28 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.581 ' O ' HG23 ' A' ' 49' ' ' VAL . 9.3 tt0 177.73 148.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 63.24 110.252 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.413 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -63.5 106.0 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 74.23 109.314 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 47' ' ' GLN . 68.0 t -109.31 100.69 42.33 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.12 109.288 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.418 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.01 168.4 24.92 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.496 1.788 . . . . 74.35 111.013 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.4 ttp -64.74 149.96 48.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 72.53 111.006 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.99 -3.41 65.3 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.515 1.134 . . . . 71.12 110.986 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.2 m -95.2 115.48 27.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 0.737 . . . . 75.32 110.376 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.697 ' OG1' HG21 ' A' ' 27' ' ' VAL . 38.6 m -49.77 144.3 6.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 54.35 110.409 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.603 HD22 HG11 ' A' ' 5' ' ' VAL . 9.7 tp -91.15 136.07 33.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 73.41 109.311 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.67 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.4 mmt -119.37 158.06 49.78 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 75.5 110.981 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.593 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -75.01 -8.9 20.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 72.33 110.983 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -103.7 10.25 36.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 74.41 109.294 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.636 ' HE2' ' H ' ' A' ' 56' ' ' MET . 37.5 mtm -120.77 9.04 10.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 72.24 111.019 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.748 HG11 ' CD1' ' A' ' 40' ' ' LEU . 96.2 t -123.07 133.74 68.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 42.31 109.297 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -86.69 149.85 24.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 74.34 109.302 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.67 14.21 28.0 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.108 . . . . 65.33 111.006 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 71.0 t80 -80.0 175.06 10.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 0.798 . . . . 62.33 111.01 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.564 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 172.67 158.92 0.26 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 62.05 109.341 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 54.32 110.988 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 54.15 109.315 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.481 0.181 . . . . 75.41 111.027 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -162.92 135.2 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 73.12 109.313 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -71.72 113.52 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 73.41 110.304 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -89.15 114.75 26.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 74.41 110.298 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.4 m -103.39 152.02 22.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 74.3 109.978 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.578 HG11 ' CD2' ' A' ' 55' ' ' LEU . 75.8 t -61.44 135.43 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 72.32 109.263 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.47 ' O ' HG22 ' A' ' 23' ' ' THR . 62.0 t -131.87 125.83 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 75.32 109.285 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.63 105.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 75.12 109.324 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.64 -26.2 68.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 61.32 109.327 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -145.99 -175.18 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 61.25 110.258 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 50' ' ' PRO . 4.8 tp -72.62 105.4 4.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 73.12 109.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.539 HG21 HD23 ' A' ' 17' ' ' LEU . 1.8 mt -100.1 108.95 54.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 74.42 109.293 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.85 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.1 Cg_endo -74.99 168.72 24.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 72.24 110.957 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.936 HD12 ' HA ' ' A' ' 47' ' ' GLN . 7.2 tt -70.0 137.68 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 71.35 109.278 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.409 ' ND2' HG12 ' A' ' 13' ' ' ILE . 2.0 m120 66.51 41.42 3.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 74.53 109.307 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.85 HG21 ' HD2' ' A' ' 12' ' ' PRO . 31.5 m -114.55 110.7 20.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 72.42 110.395 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -49.73 107.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 73.43 109.268 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.539 HD23 HG21 ' A' ' 11' ' ' ILE . 58.9 mt -54.34 149.89 9.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 74.11 109.274 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 p -143.34 161.14 39.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 73.12 110.419 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.3 tp -65.41 -17.35 64.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 75.12 109.271 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -94.29 1.01 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 60.33 109.335 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.51 ' O ' HD11 ' A' ' 11' ' ' ILE . 27.5 mtm -125.55 6.46 7.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 71.42 110.97 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.2 mtm -139.98 157.17 46.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 73.13 110.983 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 24' ' ' THR . 15.2 t -161.39 -152.03 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 71.23 110.435 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.495 ' N ' HG23 ' A' ' 23' ' ' THR . 30.2 p -141.84 151.06 42.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 75.55 110.412 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? 179.91 143.89 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 72.51 110.3 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -74.85 97.46 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 71.35 109.294 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.801 HG21 ' OG1' ' A' ' 54' ' ' THR . 8.4 m -119.11 163.0 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 73.32 109.287 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.44 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.9 t -137.54 131.08 17.15 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 70.31 110.001 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.44 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.04 162.75 92.22 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.955 -2.519 . . . . 60.11 111.001 -0.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 p -78.16 149.42 33.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 65.35 110.404 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.604 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -127.12 -145.73 6.29 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.535 1.147 . . . . 60.03 111.012 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.662 HD11 ' O ' ' A' ' 56' ' ' MET . 59.5 mt -42.26 139.27 1.85 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.748 . . . . 64.34 109.313 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.97 145.77 31.96 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.498 1.789 . . . . 74.23 110.991 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.24 -20.14 57.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 73.11 109.291 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.42 -4.97 29.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 71.13 110.308 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.556 ' O ' HD23 ' A' ' 40' ' ' LEU . 16.7 m-20 -106.37 6.39 30.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 33.15 109.307 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.528 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -51.86 -50.81 75.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 72.31 109.307 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.97 -1.9 11.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 71.24 111.043 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.447 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 16.0 mtm180 -97.0 -38.09 9.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 73.4 110.327 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.667 ' CD1' HG21 ' A' ' 60' ' ' VAL . 4.0 mm? -71.85 -26.41 62.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 55.02 109.277 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.04 131.29 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 72.42 109.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 86.46 -14.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 72.31 110.026 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mtm -99.24 127.01 45.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.097 . . . . 70.23 110.998 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.9 mt-30 -78.44 179.23 7.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 72.4 110.296 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.463 ' CG1' HD21 ' A' ' 17' ' ' LEU . 4.5 m -108.95 152.49 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 71.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.498 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 18.7 p30 -103.21 28.46 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 70.43 109.3 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.936 ' HA ' HD12 ' A' ' 13' ' ' ILE . 8.8 tt0 179.77 148.32 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 71.34 110.344 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.407 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.5 t -65.72 106.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 60.44 109.302 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 47' ' ' GLN . 6.3 t -109.41 100.55 42.03 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.33 109.305 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.475 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.0 155.06 42.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.479 1.778 . . . . 74.32 110.988 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.8 ttp -49.82 147.57 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 75.12 110.99 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.76 -5.58 69.37 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 70.52 110.981 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.8 m -91.94 116.17 28.69 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 0.763 . . . . 51.42 110.408 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.801 ' OG1' HG21 ' A' ' 27' ' ' VAL . 94.2 m -51.47 144.41 10.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 52.35 110.377 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.578 ' CD2' HG11 ' A' ' 5' ' ' VAL . 8.8 tp -91.41 134.12 34.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 55.11 109.293 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.662 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.5 mmt -119.25 158.2 49.15 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 71.22 110.988 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.586 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.99 -11.08 21.48 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.772 . . . . 71.33 111.039 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -102.62 11.51 37.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 55.04 109.304 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.443 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 32.7 mtm -120.96 7.61 10.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 64.22 111.005 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 40' ' ' LEU . 78.7 t -120.05 139.46 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 65.22 109.307 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.498 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -90.11 148.19 23.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.51 109.32 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.02 16.78 34.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 63.41 110.979 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 71.1 t80 -80.87 174.98 11.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 75.31 110.98 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.581 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.68 158.54 0.21 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 72.24 109.336 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -162.23 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.502 1.79 . . . . 65.42 111.008 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 72.12 109.313 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.447 ' O ' ' ND2' ' A' ' 1' ' ' ASN . 1.4 tmm? . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.503 0.192 . . . . 73.54 111.025 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 0' ' ' MET . 2.0 m120 -149.95 111.88 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 74.14 109.295 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -68.38 115.96 8.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 74.1 110.273 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -92.48 115.45 28.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 72.15 110.302 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 6' ' ' VAL . 12.3 m -101.86 150.51 23.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 75.53 110.007 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.571 HG12 ' HB2' ' A' ' 55' ' ' LEU . 64.6 t -59.31 139.61 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 73.35 109.284 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.745 ' O ' HG22 ' A' ' 23' ' ' THR . 58.0 t -135.89 127.41 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 74.52 109.267 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.38 105.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 74.13 109.326 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.41 -26.7 68.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 73.31 109.323 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.479 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 2.8 pt20 -156.51 176.93 12.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 60.12 110.302 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 tp -58.21 114.49 2.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 64.34 109.261 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.914 HD11 ' O ' ' A' ' 21' ' ' MET . 14.0 mt -114.63 108.75 48.84 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 63.22 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.864 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.05 167.43 27.02 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.543 1.812 . . . . 70.12 110.999 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.4 tt -70.48 139.58 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 70.33 109.327 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 70.48 29.63 3.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 73.14 109.345 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.864 HG21 ' HD2' ' A' ' 12' ' ' PRO . 26.0 m -105.82 111.46 24.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 73.12 110.41 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.41 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.36 107.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 31.43 109.272 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.444 HD21 ' CG1' ' A' ' 45' ' ' VAL . 54.9 mt -53.03 149.87 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 75.32 109.295 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 p -143.53 161.5 38.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 74.33 110.389 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.5 tp -65.96 -14.93 62.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 71.44 109.273 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -97.09 1.62 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 73.02 109.28 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.914 ' O ' HD11 ' A' ' 11' ' ' ILE . 29.0 mtm -125.43 4.47 7.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 75.51 111.005 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.1 mtm -133.64 156.61 47.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 71.43 111.024 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.745 HG22 ' O ' ' A' ' 6' ' ' VAL . 10.2 t -161.59 -172.32 3.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 62.12 110.41 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.419 ' N ' ' OG1' ' A' ' 23' ' ' THR . 20.3 p -123.64 150.72 43.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 75.45 110.366 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -179.54 135.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 51.23 110.278 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.1 t -69.92 92.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 72.53 109.34 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.825 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.2 m -111.99 164.96 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 72.22 109.283 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.445 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 t -138.61 130.85 15.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 70.35 110.013 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.98 162.8 92.12 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.011 -2.495 . . . . 64.42 111.012 -0.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -77.73 149.73 34.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 64.43 110.396 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.91 -143.25 5.78 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.555 1.159 . . . . 54.12 110.95 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.682 HD11 ' O ' ' A' ' 56' ' ' MET . 70.4 mt -43.92 139.52 2.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 61.41 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.602 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -74.98 145.14 31.16 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.769 . . . . 61.22 111.01 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.32 58.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 73.22 109.318 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -4.18 27.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 74.5 110.267 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.534 ' O ' HD23 ' A' ' 40' ' ' LEU . 13.8 m-20 -107.54 5.76 27.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 70.21 109.323 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.546 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.12 -49.66 83.25 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 75.25 109.299 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -75.0 -2.94 13.19 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.47 1.774 . . . . 73.42 111.054 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.417 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 17.3 mtm180 -96.01 -40.16 9.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 65.5 110.289 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.777 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -69.58 -26.42 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 44.54 109.313 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -55.83 131.75 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 75.31 109.266 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.6 t 86.31 -14.28 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 73.42 109.994 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.3 mtm -99.78 127.75 45.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 72.21 110.998 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.5 mt-30 -78.77 178.74 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 72.24 110.326 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.504 HG21 HG22 ' A' ' 11' ' ' ILE . 3.7 m -110.55 144.0 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 74.14 109.277 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.45 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 16.3 p30 -93.27 32.49 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 72.33 109.284 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.681 ' O ' HG23 ' A' ' 49' ' ' VAL . 10.1 tt0 176.24 148.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 74.41 110.263 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.411 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -64.93 107.39 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 55.12 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 47' ' ' GLN . 12.2 t -109.8 103.28 52.9 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 63.32 109.297 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.13 27.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 75.04 111.028 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 35.2 ttm -62.72 145.37 54.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 73.03 111.018 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 83.76 -10.04 60.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.554 1.159 . . . . 72.41 111.006 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.1 m -84.36 116.53 23.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 0.735 . . . . 72.25 110.376 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.825 ' OG1' HG21 ' A' ' 27' ' ' VAL . 97.3 m -49.57 144.5 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 72.23 110.393 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.571 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -87.5 133.23 33.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 63.43 109.309 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.682 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.0 mmt -118.14 154.0 51.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 71.24 110.984 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -9.06 20.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 71.35 111.028 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.16 -0.99 32.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 70.01 109.343 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.641 ' HE2' ' H ' ' A' ' 56' ' ' MET . 34.4 mtm -108.38 10.49 27.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 64.24 110.984 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.777 HG11 ' CD1' ' A' ' 40' ' ' LEU . 98.1 t -124.15 131.45 72.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 75.42 109.277 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -84.99 149.6 25.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 55.45 109.311 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.98 15.22 27.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.142 . . . . 43.44 111.01 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.601 ' HB2' HG12 ' A' ' 60' ' ' VAL . 72.7 t80 -79.19 174.57 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 0.745 . . . . 73.42 111.019 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.535 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 173.99 158.77 0.32 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 72.25 109.264 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 71.15 111.002 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 51.43 109.271 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.4 tpt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.491 0.186 . . . . 73.41 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -134.73 130.25 35.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 71.34 109.3 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -107.01 104.16 13.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.176 . . . . 44.22 110.297 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.3 114.32 26.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 70.13 110.275 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.456 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.4 m -101.7 151.79 21.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 53.14 109.969 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.68 HG12 HD23 ' A' ' 55' ' ' LEU . 93.5 t -59.87 143.23 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 73.42 109.304 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.686 ' O ' HG22 ' A' ' 23' ' ' THR . 53.7 t -139.13 124.89 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 73.24 109.315 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 102.89 0.05 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 64.13 109.293 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.06 -29.97 71.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 74.33 109.333 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -143.53 179.08 7.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 72.14 110.316 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 50' ' ' PRO . 8.8 tp -62.56 121.05 12.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 61.41 109.292 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.65 HG21 ' CD2' ' A' ' 17' ' ' LEU . 1.5 mt -115.82 102.92 54.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 62.32 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.862 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.02 161.22 39.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 70.33 110.991 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.951 HD12 ' HA ' ' A' ' 47' ' ' GLN . 5.6 tt -63.54 136.37 26.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 73.32 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 67.2 43.19 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 75.34 109.31 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.862 HG21 ' HD2' ' A' ' 12' ' ' PRO . 55.2 m -117.4 115.98 26.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 53.33 110.419 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.87 110.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 64.53 109.29 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.65 ' CD2' HG21 ' A' ' 11' ' ' ILE . 87.8 mt -59.04 149.16 28.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 74.24 109.3 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.4 p -142.94 161.12 38.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 62.35 110.412 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 7.7 tp -65.38 -17.43 64.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 74.41 109.262 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.9 m -92.23 -0.6 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 75.41 109.33 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 26.9 mtm -125.75 10.32 7.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 75.4 110.943 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.7 mtm -138.57 152.94 48.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 61.44 111.058 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.0 t -160.46 -174.26 4.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 72.32 110.396 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.1 p -121.15 146.77 46.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 61.22 110.414 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.461 ' O ' HG13 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -175.54 131.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 75.45 110.262 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.6 t -66.37 97.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 75.53 109.306 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.903 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.0 m -117.17 165.7 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 71.11 109.295 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.437 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.81 130.73 15.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 74.42 110.011 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -75.0 162.81 92.12 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.035 -2.485 . . . . 75.24 111.009 0.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 p -76.26 149.94 37.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 53.34 110.379 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.499 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.71 -145.45 6.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.429 1.081 . . . . 64.22 111.03 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.713 HD11 ' O ' ' A' ' 56' ' ' MET . 52.8 mt -44.01 139.69 2.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.783 . . . . 64.32 109.312 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.0 145.77 31.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 70.02 111.009 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.67 60.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 71.41 109.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.43 -4.74 28.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 64.24 110.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.536 ' O ' HD23 ' A' ' 40' ' ' LEU . 12.4 m-20 -107.29 5.27 27.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.168 . . . . 74.3 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.39 -49.65 84.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 71.13 109.278 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.1 Cg_endo -75.04 -1.75 11.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.53 1.805 . . . . 72.43 111.014 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 18.3 mtm180 -97.38 -40.36 8.75 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 1.125 . . . . 72.52 110.331 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.683 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -69.13 -27.05 65.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 71.23 109.291 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.556 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -55.71 131.73 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 64.23 109.309 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.1 t 86.35 -14.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 73.32 109.999 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtm -98.48 130.35 45.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 64.22 110.944 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.2 mt-30 -82.74 170.9 14.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 60.33 110.278 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.628 ' CG1' HD21 ' A' ' 17' ' ' LEU . 29.1 m -100.23 154.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 53.31 109.285 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.499 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 20.6 p30 -106.04 30.52 5.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 65.14 109.301 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.951 ' HA ' HD12 ' A' ' 13' ' ' ILE . 8.5 tt0 178.71 148.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 71.33 110.294 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.414 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -63.12 103.2 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 74.11 109.309 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 47' ' ' GLN . 89.3 t -109.95 99.73 40.2 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 73.34 109.279 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.513 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.1 Cg_endo -74.99 160.77 39.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.486 1.782 . . . . 53.12 110.975 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 36.0 ttp -52.57 148.23 7.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 73.23 111.015 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.99 -4.7 69.26 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 74.52 111.005 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.8 m -88.79 114.32 25.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 75.24 110.42 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.903 ' OG1' HG21 ' A' ' 27' ' ' VAL . 51.8 m -49.71 144.3 6.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 64.25 110.387 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.68 HD23 HG12 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -85.37 132.57 34.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 63.1 109.337 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.713 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.6 mmt -121.16 152.3 56.83 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 73.21 110.987 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.0 Cg_endo -75.03 -9.74 20.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.558 1.82 . . . . 64.15 110.963 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.58 8.11 37.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 74.24 109.332 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.48 ' HE2' ' HB2' ' A' ' 59' ' ' MET . 20.0 mtm -120.96 11.85 11.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 64.02 111.018 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.683 HG11 ' CD1' ' A' ' 40' ' ' LEU . 92.3 t -122.5 138.63 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 74.01 109.308 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.499 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -90.27 149.26 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 73.21 109.294 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.94 18.07 24.72 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 72.02 111.015 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 72.9 t80 -81.6 174.6 11.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 62.04 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.545 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 174.13 158.22 0.32 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 71.25 109.338 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.554 1.818 . . . . 64.33 110.979 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 40.13 109.303 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 15.2 tpp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.457 0.17 . . . . 74.22 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -109.21 133.86 52.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 64.43 109.339 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -68.41 111.98 4.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 64.1 110.33 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -89.35 113.74 25.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 75.12 110.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.485 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.7 m -102.92 152.13 21.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 74.3 109.98 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.602 HG12 ' HB2' ' A' ' 55' ' ' LEU . 73.8 t -59.96 139.78 19.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 70.5 109.324 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 23' ' ' THR . 62.1 t -137.8 130.04 40.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 64.21 109.34 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.98 106.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 70.24 109.275 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.36 -26.62 68.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 65.33 109.315 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.479 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 5.7 pt20 -156.56 -178.9 7.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 62.42 110.337 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 50' ' ' PRO . 15.3 tp -57.88 119.61 7.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 54.43 109.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.446 ' CG1' ' O ' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -118.89 105.18 45.68 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 72.44 109.263 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.861 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.06 165.23 31.65 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.492 1.785 . . . . 71.21 111.005 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.5 tt -68.72 138.38 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 70.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 70.84 32.31 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 65.34 109.296 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.861 HG21 ' HD2' ' A' ' 12' ' ' PRO . 29.4 m -107.79 112.3 24.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 74.05 110.384 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.31 110.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 54.14 109.303 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.58 HD21 ' CG1' ' A' ' 45' ' ' VAL . 77.2 mt -56.24 147.23 21.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 64.33 109.316 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 p -141.98 164.29 30.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 74.44 110.406 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.529 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.5 tp -67.46 -15.36 63.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 51.52 109.286 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -96.63 0.39 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 72.44 109.291 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.407 ' O ' HD11 ' A' ' 11' ' ' ILE . 13.5 mtm -125.56 8.63 7.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 54.53 110.991 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 75.6 mtm -139.55 156.11 47.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 75.53 111.032 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 6' ' ' VAL . 10.2 t -161.95 -165.31 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 72.33 110.369 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.426 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.5 p -128.12 151.57 49.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 64.51 110.422 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -179.5 135.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 72.31 110.304 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 t -70.66 93.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 64.13 109.327 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.822 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.4 m -114.14 164.56 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 62.42 109.29 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.437 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 4.1 t -138.65 130.95 15.81 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 61.11 109.994 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.03 162.81 92.09 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.006 -2.497 . . . . 70.1 111.006 0.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -74.92 152.51 38.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 65.33 110.4 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.38 -142.64 5.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 54.44 111.007 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.742 HD11 ' O ' ' A' ' 56' ' ' MET . 35.9 mt -46.36 141.39 4.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 0.777 . . . . 71.34 109.284 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.97 144.8 30.78 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 71.11 111.006 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.83 -18.47 55.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 60.23 109.334 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -75.11 -2.63 28.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 73.22 110.323 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.53 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.4 m-20 -108.53 4.79 24.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 73.33 109.334 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.551 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -50.0 -49.07 76.95 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 64.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.01 -9.8 20.92 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.525 1.803 . . . . 63.24 111.04 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 14.7 mtm180 -88.27 -37.83 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 72.13 110.299 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.692 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -73.3 -25.83 60.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 73.24 109.261 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.529 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.2 mm -56.71 130.77 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 71.14 109.276 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.2 m 86.78 -14.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.45 109.966 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -98.57 126.49 44.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 64.33 110.972 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.403 ' HA ' ' O ' ' A' ' 15' ' ' THR . 4.3 mt-30 -77.46 -179.88 6.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 74.22 110.252 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.58 ' CG1' HD21 ' A' ' 17' ' ' LEU . 13.6 m -111.12 153.53 12.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.43 109.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.489 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 19.9 p30 -103.04 31.23 4.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 54.31 109.264 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.713 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.8 tt0 177.17 148.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 75.2 110.332 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.406 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -63.19 104.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 63.55 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 47' ' ' GLN . 22.0 t -107.4 102.77 45.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 75.52 109.359 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.503 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.0 173.74 14.0 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.518 1.799 . . . . 64.13 110.982 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 35.0 ttm -68.67 146.18 53.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 61.23 111.03 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 83.39 -10.31 59.25 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.488 1.117 . . . . 73.31 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.7 m -84.74 116.98 23.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 0.744 . . . . 75.1 110.411 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.822 ' OG1' HG21 ' A' ' 27' ' ' VAL . 98.2 m -49.5 144.37 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 74.42 110.407 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.602 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -89.27 125.68 35.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 74.23 109.299 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.742 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.4 mmt -110.71 153.6 43.58 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 63.24 110.974 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.607 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -74.99 -8.36 20.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 70.1 110.999 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.44 0.29 33.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 73.53 109.276 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.621 ' HE2' ' H ' ' A' ' 56' ' ' MET . 38.3 mtm -112.04 16.52 20.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 65.43 111.012 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.692 HG11 ' CD1' ' A' ' 40' ' ' LEU . 97.2 t -126.47 131.45 71.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 73.14 109.33 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.2 mtpp -86.26 140.71 29.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 73.41 109.282 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.27 17.26 70.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 72.41 111.014 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 70.7 t80 -84.74 174.81 9.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 74.12 111.012 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 169.62 159.29 0.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 51.45 109.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.78 . . . . 73.52 111.012 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 51.54 109.288 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.2 ttt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.497 0.189 . . . . 71.1 111.03 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -149.16 124.7 10.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 73.21 109.28 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -75.83 111.62 11.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 74.32 110.303 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -89.86 120.26 30.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 71.23 110.293 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.519 ' O ' HG23 ' A' ' 6' ' ' VAL . 12.9 m -103.82 149.81 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 75.21 109.944 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.545 HG11 HD22 ' A' ' 55' ' ' LEU . 70.6 t -59.57 137.36 22.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 73.23 109.312 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.75 ' O ' HG22 ' A' ' 23' ' ' THR . 47.6 t -134.59 126.6 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 73.03 109.313 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.679 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -47.76 107.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 64.14 109.303 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.51 -25.28 68.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 72.44 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.404 ' NE2' ' HG2' ' A' ' 21' ' ' MET . 4.1 pt20 -156.04 175.92 13.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 54.42 110.27 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 tp -57.55 113.16 1.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 72.52 109.26 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.76 HD11 ' O ' ' A' ' 21' ' ' MET . 8.8 mt -113.03 107.92 53.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 63.43 109.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.842 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.01 170.91 19.39 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 74.44 110.957 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.911 HD12 ' HA ' ' A' ' 47' ' ' GLN . 8.2 tt -72.36 138.12 22.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 74.55 109.294 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 70.0 35.13 2.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 73.21 109.291 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.842 HG21 ' HD2' ' A' ' 12' ' ' PRO . 41.5 m -108.8 114.16 27.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 74.22 110.423 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.416 ' O ' HG23 ' A' ' 18' ' ' THR . . . -54.8 109.35 0.5 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 52.15 109.269 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.438 HD21 HG13 ' A' ' 45' ' ' VAL . 78.5 mt -57.01 149.1 19.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 1.172 . . . . 62.41 109.288 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 16' ' ' ALA . 22.2 p -143.59 162.15 36.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 75.22 110.369 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.6 tp -66.51 -11.16 51.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 71.24 109.325 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 m -101.33 0.87 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 63.41 109.334 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.76 ' O ' HD11 ' A' ' 11' ' ' ILE . 37.2 mtm -125.52 10.58 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 65.12 110.974 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 76.5 mtm -139.16 157.79 45.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 75.35 110.993 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.75 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.1 t -161.82 -169.28 2.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.087 . . . . 73.41 110.396 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.42 ' N ' ' OG1' ' A' ' 23' ' ' THR . 23.8 p -125.76 152.41 45.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 74.31 110.404 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.784 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.0 OUTLIER 174.98 108.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 74.31 110.319 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 26' ' ' VAL . 1.5 p -54.3 103.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 55.44 109.298 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.829 HG21 ' OG1' ' A' ' 54' ' ' THR . 25.2 m -119.76 169.58 10.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 73.42 109.335 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.454 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.3 t -133.6 128.31 19.97 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.145 . . . . 64.13 110.043 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -75.0 162.27 93.18 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.063 -2.474 . . . . 74.24 111.027 0.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p -80.18 148.2 30.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 45.52 110.405 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.417 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -124.83 -145.85 6.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 72.03 110.991 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.66 HD11 ' O ' ' A' ' 56' ' ' MET . 69.2 mt -43.22 138.78 2.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 75.14 109.302 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.99 145.41 31.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.5 1.789 . . . . 74.02 110.965 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.53 -16.4 24.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 63.42 109.333 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 -0.52 22.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 74.41 110.291 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.537 ' O ' HD23 ' A' ' 40' ' ' LEU . 14.6 m-20 -109.57 4.39 22.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 72.4 109.29 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.547 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.94 -50.05 80.43 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 71.22 109.294 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.5 Cg_endo -74.98 -1.62 11.45 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.509 1.794 . . . . 73.05 111.008 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.451 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 69.0 mtp180 -97.45 -41.4 8.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 73.34 110.283 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.798 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -68.25 -27.88 66.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 61.12 109.315 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.548 ' O ' ' CB ' ' A' ' 42' ' ' SER . 1.4 mm -53.99 130.33 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 74.04 109.344 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.4 t 88.76 -22.06 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 71.44 109.974 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -92.98 133.02 36.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 72.11 110.975 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.416 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 4.1 mt-30 -85.1 178.78 7.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 75.01 110.301 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.507 HG21 HG22 ' A' ' 11' ' ' ILE . 3.5 m -107.34 152.33 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 73.1 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.506 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 16.3 p30 -101.98 26.02 8.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 71.35 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.911 ' HA ' HD12 ' A' ' 13' ' ' ILE . 8.5 tt0 -176.68 148.68 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 65.12 110.292 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.409 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.9 t -65.09 103.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 64.01 109.329 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 47' ' ' GLN . 6.2 t -106.95 103.5 47.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 73.14 109.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 161.86 38.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.545 1.813 . . . . 74.42 111.016 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.5 ttp -58.76 144.61 43.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 75.21 110.98 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.82 -10.56 62.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 61.24 110.976 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.3 m -85.56 116.87 24.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 72.43 110.357 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.829 ' OG1' HG21 ' A' ' 27' ' ' VAL . 46.3 m -49.78 143.15 7.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 53.43 110.411 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.545 HD22 HG11 ' A' ' 5' ' ' VAL . 9.0 tp -91.81 132.83 36.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 72.21 109.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.66 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.6 mmt -116.41 158.43 43.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 70.1 110.996 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.595 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.97 -9.64 20.9 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.536 1.809 . . . . 74.41 110.982 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -104.09 10.91 35.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 63.24 109.305 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.444 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 35.5 mtm -121.12 13.16 11.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 71.24 111.001 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.798 HG11 ' CD1' ' A' ' 40' ' ' LEU . 99.4 t -126.3 134.16 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 71.22 109.293 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.506 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -87.91 140.44 29.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 72.52 109.323 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.22 18.56 71.35 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 51.34 110.984 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.689 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 59.0 t80 -87.34 174.07 8.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 73.52 111.002 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 162.31 157.51 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 63.35 109.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.05 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.519 1.8 . . . . 73.23 111.006 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 44.34 109.288 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 5.7 ptp . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.479 0.18 . . . . 73.25 111.019 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -135.66 138.05 42.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 72.42 109.309 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -41.93 110.53 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 74.45 110.286 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -82.43 123.16 28.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 52.22 110.302 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.494 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -110.05 149.71 29.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 74.33 110.012 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.781 ' CG1' HD12 ' A' ' 55' ' ' LEU . 95.3 t -61.51 137.6 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 61.13 109.282 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.607 ' O ' HG22 ' A' ' 23' ' ' THR . 33.8 t -135.1 122.2 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 62.43 109.26 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -46.48 106.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 63.33 109.301 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.69 68.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 62.22 109.298 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.471 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 3.1 pt20 -153.79 175.8 12.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 73.3 110.35 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 50' ' ' PRO . 10.8 tp -60.18 105.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 74.03 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.883 HD11 ' O ' ' A' ' 21' ' ' MET . 12.9 mt -103.14 107.97 57.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 62.02 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.879 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.04 167.96 25.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.799 . . . . 73.24 111.04 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.9 tt -70.84 141.2 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 65.41 109.304 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 69.55 27.68 4.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 73.41 109.296 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.879 HG21 ' HD2' ' A' ' 12' ' ' PRO . 27.2 m -103.89 111.85 24.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 55.21 110.386 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 18' ' ' THR . . . -53.75 109.53 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 71.31 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.466 HD13 ' HB3' ' A' ' 40' ' ' LEU . 70.1 mt -54.48 149.56 10.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 54.43 109.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 16' ' ' ALA . 22.2 p -143.4 161.89 37.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 74.24 110.398 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.4 tp -66.44 -11.43 51.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 73.23 109.255 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 m -100.94 1.02 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 31.45 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.883 ' O ' HD11 ' A' ' 11' ' ' ILE . 32.0 mtm -125.6 9.9 7.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 63.3 111.023 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.0 mtm -141.38 156.92 45.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 62.34 110.999 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 6' ' ' VAL . 14.6 t -161.71 -158.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 63.22 110.392 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.6 p -138.24 150.05 46.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 74.11 110.36 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.437 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.5 tmt_? -179.78 136.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 75.01 110.337 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' ' 26' ' ' VAL . 3.0 t -67.32 97.66 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 55.2 109.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.788 HG21 ' OG1' ' A' ' 54' ' ' THR . 10.0 m -119.59 163.86 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.127 . . . . 70.55 109.245 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.431 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.27 130.86 16.21 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 71.54 109.99 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.6 Cg_endo -74.92 163.04 91.59 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.025 -2.489 . . . . 74.02 111.026 -0.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 p -82.09 145.9 29.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 63.44 110.397 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.599 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -122.77 -142.83 6.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.143 . . . . 65.3 111.006 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.671 HG21 HD21 ' A' ' 40' ' ' LEU . 65.0 mt -43.98 139.22 3.09 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 75.4 109.294 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.04 145.88 31.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.479 1.778 . . . . 64.44 110.959 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.1 -20.48 58.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 63.11 109.285 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.49 -5.59 29.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 54.22 110.32 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.563 ' O ' HD23 ' A' ' 40' ' ' LEU . 15.9 m-20 -105.57 6.39 32.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 62.14 109.265 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.53 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -51.9 -50.75 76.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 63.14 109.326 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.05 -1.78 11.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 65.5 110.927 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 16.2 mtm180 -97.38 -37.66 9.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 44.23 110.276 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.697 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -72.11 -26.14 62.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 65.41 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.559 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.02 130.98 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 74.42 109.249 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.4 t 86.2 -13.99 0.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 74.24 109.999 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.8 mtm -100.22 128.4 46.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 74.14 110.999 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.5 mt-30 -80.62 179.55 7.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 71.44 110.296 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.511 HG21 HG22 ' A' ' 11' ' ' ILE . 3.6 m -111.6 144.75 18.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 74.22 109.33 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -93.22 33.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 74.45 109.318 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.6 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.8 tt0 175.93 149.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 72.52 110.294 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.413 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -67.7 105.88 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 72.53 109.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 47' ' ' GLN . 5.1 t -105.15 105.37 51.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 54.42 109.279 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.509 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.0 156.79 43.0 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.519 1.8 . . . . 73.55 111.007 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 30.0 ttm -56.15 143.72 32.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 64.02 110.985 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 86.52 -12.55 60.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.092 . . . . 54.53 110.973 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.7 m -85.81 115.57 23.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 74.41 110.408 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.788 ' OG1' HG21 ' A' ' 27' ' ' VAL . 32.7 m -49.64 143.54 7.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 74.24 110.434 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.781 HD12 ' CG1' ' A' ' 5' ' ' VAL . 4.8 mt -90.55 132.86 35.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 73.02 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.666 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.2 mmt -115.31 158.19 41.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 75.13 111.05 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.598 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.01 -9.16 20.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.484 1.781 . . . . 73.51 110.991 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -102.46 8.7 39.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 73.53 109.282 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.444 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 42.4 mtm -120.64 13.37 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 62.43 111.005 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.697 HG11 ' CD1' ' A' ' 40' ' ' LEU . 88.8 t -126.19 133.75 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 64.5 109.288 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.22 150.52 24.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 73.02 109.307 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.74 15.64 20.03 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 75.14 111.014 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 67.9 t80 -80.98 174.95 11.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 0.786 . . . . 71.24 110.947 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.579 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 173.65 159.19 0.3 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 64.13 109.303 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.549 1.815 . . . . 61.44 111.019 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 55.52 109.297 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 14.8 ptm . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.527 0.204 . . . . 73.21 111.031 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -132.22 136.08 46.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 71.55 109.31 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -38.75 110.56 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 74.44 110.257 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.37 114.9 25.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.33 110.316 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.471 ' O ' HG23 ' A' ' 6' ' ' VAL . 3.3 m -102.01 151.13 22.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 74.33 109.991 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.673 HG12 HD23 ' A' ' 55' ' ' LEU . 85.1 t -59.27 142.19 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 64.3 109.269 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.732 ' O ' HG22 ' A' ' 23' ' ' THR . 56.8 t -138.39 125.41 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 70.02 109.292 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.405 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -47.24 105.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 41.41 109.34 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.13 -25.7 68.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 71.24 109.29 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.431 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 2.9 pt20 -156.45 178.36 10.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 72.25 110.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.53 113.45 2.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 55.52 109.304 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.943 HD11 ' O ' ' A' ' 21' ' ' MET . 17.3 mt -113.9 108.55 50.96 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.163 . . . . 75.53 109.342 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.894 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -74.97 171.06 19.06 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.45 1.763 . . . . 63.21 111.004 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.95 HD12 ' HA ' ' A' ' 47' ' ' GLN . 5.5 tt -72.25 146.12 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 75.11 109.349 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 62.94 29.19 16.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 73.31 109.276 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.894 HG21 ' HD2' ' A' ' 12' ' ' PRO . 32.1 m -104.5 112.66 25.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 73.24 110.404 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 18' ' ' THR . . . -52.7 110.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 73.12 109.33 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.539 HD21 ' CG1' ' A' ' 45' ' ' VAL . 74.1 mt -57.0 148.67 20.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 75.25 109.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 16' ' ' ALA . 37.4 p -142.67 161.2 38.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 72.11 110.391 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.9 tp -65.09 -18.45 65.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 62.43 109.307 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.9 m -93.1 1.15 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 42.31 109.292 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.943 ' O ' HD11 ' A' ' 11' ' ' ILE . 14.2 mtm -125.52 6.6 7.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.3 111.043 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.8 mtm -136.38 154.12 50.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 73.02 111.019 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 6' ' ' VAL . 8.8 t -159.59 -174.03 4.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 71.04 110.358 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -121.06 150.13 41.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 75.31 110.395 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.32 133.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 73.13 110.312 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.22 87.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 74.24 109.241 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.843 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.6 m -106.67 164.99 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 72.44 109.279 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.439 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.8 t -137.82 130.54 16.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 73.03 109.966 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.439 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.2 Cg_endo -75.02 163.1 91.5 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.992 -2.503 . . . . 74.42 111.001 0.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 p -77.02 148.37 36.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 71.42 110.365 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.468 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.5 -145.24 6.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 53.43 111.015 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.714 HD11 ' O ' ' A' ' 56' ' ' MET . 59.9 mt -42.86 139.14 2.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 75.21 109.316 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -74.97 146.38 32.69 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 73.31 110.959 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.29 -20.15 57.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 64.21 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.1 -4.17 27.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 74.23 110.284 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.534 ' O ' HD23 ' A' ' 40' ' ' LEU . 11.3 m-20 -107.7 4.39 25.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 71.31 109.279 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.552 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.28 -49.53 84.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 73.21 109.326 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.0 -2.07 12.05 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 64.34 110.975 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 18.0 mtm180 -97.22 -40.55 8.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 64.43 110.293 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.701 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -69.39 -26.26 64.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 73.11 109.313 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.553 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.17 131.45 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 73.45 109.319 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER 86.8 -14.31 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 73.53 110.043 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -100.3 128.59 46.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 51.42 111.03 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.3 mt-30 -79.28 179.04 7.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 65.54 110.248 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.539 ' CG1' HD21 ' A' ' 17' ' ' LEU . 6.7 m -111.7 144.74 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 72.44 109.369 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' CB ' ' HD3' ' A' ' 61' ' ' LYS . 18.8 p30 -92.69 28.69 1.96 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 74.21 109.275 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.95 ' HA ' HD12 ' A' ' 13' ' ' ILE . 8.6 tt0 -178.98 148.68 0.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 73.53 110.273 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.408 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -67.31 106.84 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 74.31 109.259 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 47' ' ' GLN . 12.6 t -108.56 101.76 44.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 62.43 109.294 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 53' ' ' THR . 18.2 Cg_endo -75.01 158.8 41.97 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.509 1.794 . . . . 74.41 110.985 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.431 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 15.6 ttp -50.1 145.33 5.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 73.05 110.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.85 -8.73 61.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 74.05 110.991 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.478 ' HB ' HG12 ' A' ' 49' ' ' VAL . 38.8 m -83.65 112.13 19.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 73.41 110.347 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.843 ' OG1' HG21 ' A' ' 27' ' ' VAL . 99.3 m -49.76 144.52 6.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 74.24 110.364 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.673 HD23 HG12 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -85.7 132.38 34.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 71.24 109.329 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.714 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.3 mmt -120.58 153.23 56.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 53.31 111.038 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.98 -8.03 19.72 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.458 1.767 . . . . 63.23 111.023 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.66 9.12 35.29 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 73.24 109.3 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.529 ' HE2' ' H ' ' A' ' 56' ' ' MET . 30.6 mtm -120.92 11.91 11.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 71.34 111.0 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.701 HG11 ' CD1' ' A' ' 40' ' ' LEU . 99.3 t -124.96 134.23 67.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 61.13 109.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.411 ' HD3' ' CB ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -86.61 149.46 24.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 65.21 109.278 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.83 16.15 22.93 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.521 1.138 . . . . 52.25 110.994 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 71.0 t80 -78.79 174.58 11.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 70.23 110.975 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.547 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 176.03 158.34 0.42 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 73.23 109.335 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.538 1.809 . . . . 72.11 110.987 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 52.25 109.288 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.56 0.219 . . . . 65.25 110.936 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -118.12 107.8 14.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 65.12 109.29 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.51 112.9 1.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 73.53 110.298 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -101.67 112.52 25.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 72.4 110.269 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.9 m -101.26 152.37 20.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 72.04 109.998 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.535 HG11 ' CD2' ' A' ' 55' ' ' LEU . 79.1 t -61.89 135.51 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 74.32 109.333 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.704 ' O ' HG22 ' A' ' 23' ' ' THR . 52.6 t -131.76 126.03 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 62.13 109.309 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.07 105.4 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 64.21 109.305 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.25 -26.7 68.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 71.15 109.329 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.486 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 4.3 pt20 -156.5 172.44 18.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 65.25 110.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 50' ' ' PRO . 15.0 tp -50.61 131.58 25.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 70.42 109.243 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.706 HD11 ' O ' ' A' ' 21' ' ' MET . 19.7 mt -135.82 103.57 10.0 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 51.42 109.256 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.715 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.6 Cg_endo -74.93 173.3 14.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 60.24 111.016 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.894 HD12 ' HA ' ' A' ' 47' ' ' GLN . 3.7 tt -69.22 134.92 29.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 74.41 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 13' ' ' ILE . 2.2 m120 74.75 31.8 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 74.44 109.337 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.715 HG21 ' HD2' ' A' ' 12' ' ' PRO . 19.1 m -102.33 109.58 21.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 74.22 110.452 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.434 ' O ' HG23 ' A' ' 18' ' ' THR . . . -54.36 108.32 0.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 51.32 109.265 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.462 HD13 ' HB3' ' A' ' 40' ' ' LEU . 62.8 mt -56.2 147.34 20.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 72.23 109.312 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 16' ' ' ALA . 18.7 p -143.47 162.12 36.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 72.13 110.401 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.543 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.8 tp -66.31 -11.11 48.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 71.43 109.275 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -100.72 -0.55 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 75.31 109.297 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.706 ' O ' HD11 ' A' ' 11' ' ' ILE . 28.0 mtm -124.8 9.15 8.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 70.53 111.003 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.41 ' CE ' HG12 ' A' ' 41' ' ' ILE . 77.1 mtm -137.71 155.49 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 74.45 111.004 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.8 t -161.24 -170.84 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 63.12 110.426 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.437 ' N ' ' OG1' ' A' ' 23' ' ' THR . 18.7 p -125.92 148.44 49.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 71.42 110.382 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -177.32 135.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 73.13 110.275 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.03 93.47 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 74.22 109.272 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.821 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.4 m -113.73 164.79 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 61.14 109.343 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.438 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.2 t -138.03 130.77 16.46 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 74.22 110.018 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.438 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -75.0 162.89 91.96 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.969 -2.513 . . . . 75.51 111.069 -0.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -79.01 150.4 31.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 73.11 110.416 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.547 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -127.56 -144.54 5.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.125 . . . . 70.03 111.03 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.687 HD11 ' O ' ' A' ' 56' ' ' MET . 68.4 mt -43.06 139.74 2.15 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 74.02 109.258 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.96 145.69 31.92 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 53.4 111.056 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.38 -20.62 60.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 73.24 109.299 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.03 -5.22 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 74.32 110.309 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.542 ' O ' HD23 ' A' ' 40' ' ' LEU . 12.6 m-20 -105.91 5.77 30.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 75.22 109.272 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.552 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.3 -49.68 83.73 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 73.22 109.276 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.94 -2.23 12.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 72.34 111.011 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.432 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 17.8 mtm180 -97.22 -39.15 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 71.21 110.317 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.758 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -70.79 -26.02 63.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 54.5 109.285 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.22 130.96 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 51.25 109.319 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER 86.68 -14.26 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 64.01 110.004 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -100.04 130.73 46.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 64.31 111.01 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.409 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.7 mt-30 -83.82 178.17 8.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 73.23 110.256 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.556 HG21 HG22 ' A' ' 11' ' ' ILE . 8.1 m -108.78 146.39 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 72.34 109.322 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.438 ' CB ' ' HD3' ' A' ' 61' ' ' LYS . 17.1 p30 -94.06 27.1 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 74.44 109.309 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.894 ' HA ' HD12 ' A' ' 13' ' ' ILE . 8.9 tt0 -176.58 149.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 74.21 110.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 12' ' ' PRO . 3.1 t -67.13 102.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 71.54 109.297 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 47' ' ' GLN . 3.0 t -104.0 106.15 51.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 62.14 109.287 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.522 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.03 162.27 37.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 63.21 111.007 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.486 ' HE2' ' HA ' ' A' ' 9' ' ' GLN . 30.5 ttm -61.19 143.1 56.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 71.11 111.044 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 86.17 -10.4 66.29 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.472 1.108 . . . . 71.21 111.016 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.7 m -85.89 116.77 24.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 74.1 110.413 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.821 ' OG1' HG21 ' A' ' 27' ' ' VAL . 62.0 m -49.52 143.12 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 71.34 110.387 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.535 ' CD2' HG11 ' A' ' 5' ' ' VAL . 9.9 tp -90.9 133.05 35.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 72.43 109.295 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.699 ' H ' ' HE2' ' A' ' 59' ' ' MET . 5.8 mmt -116.46 158.11 44.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 74.22 110.974 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.607 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.04 -8.37 19.96 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.494 1.786 . . . . 73.02 111.012 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -102.9 8.24 39.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 72.14 109.328 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.699 ' HE2' ' H ' ' A' ' 56' ' ' MET . 43.9 mtm -120.61 15.48 11.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 62.11 110.97 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.758 HG11 ' CD1' ' A' ' 40' ' ' LEU . 88.9 t -128.14 133.16 67.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 60.42 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.438 ' HD3' ' CB ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -85.98 149.29 25.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 71.21 109.275 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.83 16.04 29.77 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.472 1.108 . . . . 73.12 110.997 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 68.6 t80 -81.05 174.95 11.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 0.775 . . . . 65.24 110.967 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.572 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 173.79 159.06 0.31 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 75.14 109.305 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.2 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 61.43 110.985 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 75.21 109.268 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.4 ' C ' ' CG ' ' A' ' 1' ' ' ASN . 7.1 mtm . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.53 0.205 . . . . 75.12 110.957 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.4 ' CG ' ' C ' ' A' ' 0' ' ' MET . 1.0 OUTLIER -162.67 106.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 74.42 109.289 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 -48.21 109.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 64.04 110.304 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -90.64 118.15 29.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 53.4 110.317 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.43 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.8 m -102.98 154.04 19.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 72.23 109.984 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.855 ' CG1' HD12 ' A' ' 55' ' ' LEU . 81.7 t -63.14 135.42 27.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 64.22 109.316 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.673 ' O ' HG22 ' A' ' 23' ' ' THR . 47.5 t -130.43 125.85 60.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 54.22 109.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.84 106.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 73.44 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.98 -25.11 67.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 73.21 109.307 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.416 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 4.6 pt20 -156.92 178.1 10.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 75.25 110.299 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 50' ' ' PRO . 7.1 tp -58.37 122.87 14.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 71.42 109.29 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.494 HG23 ' HE3' ' A' ' 21' ' ' MET . 0.9 OUTLIER -122.17 105.24 37.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 75.4 109.305 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.794 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.01 169.12 23.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.783 . . . . 65.3 110.996 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 47' ' ' GLN . 8.2 tt -66.6 138.72 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 71.55 109.264 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.9 m-20 67.03 40.26 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 52.54 109.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.794 HG21 ' HD2' ' A' ' 12' ' ' PRO . 20.0 m -109.69 113.62 26.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 64.11 110.37 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.423 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -55.68 111.35 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 22.22 109.292 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.686 HD13 ' HB3' ' A' ' 40' ' ' LEU . 82.2 mt -57.54 147.02 28.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 72.5 109.346 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -142.6 160.68 39.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 73.15 110.404 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.538 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.3 tp -66.54 -11.91 55.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 75.03 109.327 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.06 1.8 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 73.31 109.312 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.494 ' HE3' HG23 ' A' ' 11' ' ' ILE . 17.0 mtm -125.32 9.24 7.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 70.32 110.976 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.5 mtm -139.94 154.87 47.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 53.05 110.983 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 6' ' ' VAL . 10.1 t -160.72 -172.13 3.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 74.52 110.393 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.418 ' N ' ' OG1' ' A' ' 23' ' ' THR . 19.7 p -123.65 149.44 45.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 71.32 110.371 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 179.67 135.5 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 74.33 110.287 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.2 t -67.83 106.35 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 60.32 109.271 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.838 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.1 m -128.01 165.26 27.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 74.03 109.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.481 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.9 t -139.06 130.82 15.28 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 53.51 109.989 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.99 162.77 92.18 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.013 -2.495 . . . . 71.2 110.989 -0.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p -79.67 150.29 30.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 75.1 110.456 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.55 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.27 -145.9 6.47 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 73.12 110.978 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.769 HG21 HD21 ' A' ' 40' ' ' LEU . 26.4 mt -44.6 140.11 3.31 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.557 0.798 . . . . 72.35 109.279 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.637 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.97 147.4 33.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.45 1.763 . . . . 74.11 111.044 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.15 -19.66 54.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 74.23 109.297 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.41 -4.61 27.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 72.31 110.275 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.537 ' O ' HD23 ' A' ' 40' ' ' LEU . 11.2 m-20 -107.5 5.52 27.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 70.24 109.335 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.558 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.96 -49.28 88.06 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 74.44 109.31 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -1.56 11.38 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 63.32 111.012 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.432 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 18.1 mtm180 -97.53 -43.41 7.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 74.02 110.281 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.769 HD21 HG21 ' A' ' 32' ' ' ILE . 3.9 mm? -65.37 -32.14 73.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 72.15 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 42' ' ' SER . 1.5 mm -46.63 128.99 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 74.24 109.323 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.8 m 90.11 -35.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 61.24 109.943 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.445 ' CE ' ' HA ' ' A' ' 63' ' ' TYR . 3.5 mmm -74.72 132.4 41.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 44.32 110.997 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 8.5 mt-30 -87.86 164.31 15.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 64.23 110.31 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.433 ' CG1' HD21 ' A' ' 17' ' ' LEU . 17.0 m -94.58 141.38 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 74.3 109.332 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.4 ' O ' ' OD1' ' A' ' 46' ' ' ASN . 21.6 p30 -92.42 32.03 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 61.13 109.289 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 49' ' ' VAL . 9.1 tt0 178.29 149.21 0.2 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 64.14 110.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -64.52 102.1 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 60.42 109.328 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 47' ' ' GLN . 53.6 t -106.9 103.45 47.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 73.1 109.305 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.95 169.82 21.78 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.511 1.795 . . . . 70.41 111.036 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.9 ttp -65.77 149.94 49.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 71.01 111.013 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.21 -4.55 62.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 72.24 111.027 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.8 m -93.09 115.59 28.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 74.42 110.399 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.838 ' OG1' HG21 ' A' ' 27' ' ' VAL . 61.6 m -49.58 144.18 6.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 60.35 110.359 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.855 HD12 ' CG1' ' A' ' 5' ' ' VAL . 5.1 mt -91.08 135.58 33.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 73.35 109.275 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.711 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.9 mmt -119.58 157.39 51.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 73.52 110.97 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.98 -9.4 20.79 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 73.23 111.048 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.15 12.94 35.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 51.55 109.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.9 mtm -120.88 4.51 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 75.44 110.977 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.653 HG21 ' CD1' ' A' ' 40' ' ' LEU . 42.5 t -114.66 143.24 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 53.33 109.25 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -88.94 146.25 25.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 65.12 109.289 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 51.0 28.44 17.34 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 72.22 111.013 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 50.6 t80 -88.34 174.31 8.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 73.22 110.992 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.65 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.48 161.87 0.35 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 71.41 109.263 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.429 ' HD2' ' HB1' ' A' ' 64' ' ' ALA . 18.3 Cg_endo -75.05 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 72.31 110.966 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 70.33 109.286 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.411 ' O ' ' C ' ' A' ' 1' ' ' ASN . 11.0 ttm . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.491 0.186 . . . . 71.25 111.018 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 0' ' ' MET . 0.4 OUTLIER -39.64 109.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.153 . . . . 70.03 109.314 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 3' ' ' GLU . 11.8 tp60 -91.99 101.8 14.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 71.44 110.269 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.438 ' O ' ' NE2' ' A' ' 2' ' ' GLN . 5.0 mt-10 -72.54 112.37 8.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 73.02 110.29 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -100.11 147.11 26.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 60.11 109.997 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.602 HG12 ' HB2' ' A' ' 55' ' ' LEU . 77.1 t -59.22 139.46 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 75.41 109.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.616 ' O ' HG22 ' A' ' 23' ' ' THR . 42.4 t -138.81 124.35 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 75.31 109.32 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -44.1 106.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 60.54 109.301 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.11 -26.37 68.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 64.4 109.307 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.484 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 2.8 pt20 -157.17 174.68 15.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 63.43 110.335 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 50' ' ' PRO . 9.3 tp -55.12 119.61 5.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 75.34 109.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.892 HD11 ' O ' ' A' ' 21' ' ' MET . 16.2 mt -121.57 109.57 34.44 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 62.53 109.251 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.851 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.03 172.19 16.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.504 1.791 . . . . 63.14 111.009 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.9 tt -73.63 139.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 72.12 109.312 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 70.01 32.68 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 72.44 109.308 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.851 HG21 ' HD2' ' A' ' 12' ' ' PRO . 31.4 m -107.23 111.92 24.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 73.03 110.393 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.414 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.71 108.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 70.4 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.462 HD13 ' HB3' ' A' ' 40' ' ' LEU . 60.5 mt -54.0 149.61 8.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 62.44 109.315 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 p -143.55 161.44 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 73.01 110.427 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 13.0 tp -66.08 -14.47 61.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 62.53 109.325 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.3 m -97.91 2.28 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 55.51 109.32 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.892 ' O ' HD11 ' A' ' 11' ' ' ILE . 13.8 mtm -125.64 4.01 7.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 63.03 110.976 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.7 mtm -136.42 157.51 46.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 71.32 110.989 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 6' ' ' VAL . 14.3 t -162.03 -159.65 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 73.32 110.392 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.0 p -133.41 153.81 51.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 54.34 110.397 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.9 tmt_? 177.33 129.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 75.31 110.304 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.8 t -65.98 100.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 64.13 109.294 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.79 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.9 m -120.43 165.71 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 60.35 109.302 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.435 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -138.26 130.18 15.95 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 75.41 110.015 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.435 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.95 164.31 88.66 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.02 -2.492 . . . . 65.24 110.965 -0.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 p -80.39 147.27 31.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 73.33 110.378 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -122.94 -140.49 5.71 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.455 1.097 . . . . 73.44 110.974 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.696 HD11 ' O ' ' A' ' 56' ' ' MET . 65.9 mt -47.43 139.54 7.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.583 0.814 . . . . 71.2 109.31 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.593 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.02 144.65 30.44 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.456 1.767 . . . . 75.41 110.984 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.91 -20.55 57.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 42.51 109.257 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.26 -4.78 27.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 43.22 110.304 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.544 ' O ' HD23 ' A' ' 40' ' ' LEU . 13.8 m-20 -106.1 5.8 30.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 65.12 109.334 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.538 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.99 -50.3 79.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 71.42 109.338 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.02 -1.95 11.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.548 1.815 . . . . 62.15 110.982 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 16.4 mtm180 -97.24 -39.02 9.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 72.23 110.313 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.69 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.0 mm? -70.32 -26.56 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 53.4 109.287 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -55.96 131.63 19.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 74.21 109.293 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.6 m 85.9 -14.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 54.02 110.003 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.8 mtm -99.03 127.24 44.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 74.33 111.0 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.414 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.5 mt-30 -79.7 -179.27 6.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 65.31 110.324 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.449 ' CG1' HD21 ' A' ' 17' ' ' LEU . 6.2 m -112.15 153.78 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 70.34 109.253 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.487 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 15.6 p30 -102.07 25.08 9.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 70.5 109.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.742 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.3 tt0 -177.08 146.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 75.34 110.306 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 12' ' ' PRO . 2.5 t -61.76 106.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 71.03 109.279 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 47' ' ' GLN . 15.9 t -106.75 103.99 49.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 65.33 109.295 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.5 Cg_endo -74.99 165.93 30.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.437 1.756 . . . . 74.45 111.014 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.484 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 34.5 ttm -63.77 145.47 55.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 72.32 110.969 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 83.57 -9.22 62.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.477 1.111 . . . . 63.51 111.044 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.8 m -85.54 118.33 25.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 0.786 . . . . 73.23 110.39 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.79 ' OG1' HG21 ' A' ' 27' ' ' VAL . 68.7 m -49.68 144.51 6.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 70.14 110.376 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.602 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -88.96 128.19 35.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 65.22 109.291 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.696 ' O ' HD11 ' A' ' 32' ' ' ILE . 6.9 mmt -111.9 152.91 44.57 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 60.01 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.02 -12.37 21.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 72.32 111.004 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.31 11.37 36.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 74.15 109.3 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.613 ' HE2' ' H ' ' A' ' 56' ' ' MET . 23.1 mtm -119.01 8.95 11.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 70.2 111.046 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.69 HG11 ' CD1' ' A' ' 40' ' ' LEU . 97.1 t -122.78 135.32 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 71.33 109.303 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.487 ' CD ' ' HB3' ' A' ' 46' ' ' ASN . 1.8 mtpp -89.86 135.29 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 73.31 109.283 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.49 17.61 80.1 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.436 1.085 . . . . 73.14 110.975 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 65.6 t80 -88.36 174.64 8.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 0.729 . . . . 64.53 110.985 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 170.62 161.24 0.22 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 70.31 109.279 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' ' 64' ' ' ALA . 18.4 Cg_endo -74.98 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 65.44 110.994 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 54.31 109.335 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.2 ptt? . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.501 0.191 . . . . 74.53 110.992 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -133.06 133.47 43.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 74.21 109.293 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -72.55 112.17 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.586 1.179 . . . . 54.15 110.334 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.29 114.99 24.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 73.44 110.296 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.6 m -102.35 151.9 21.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 52.41 110.02 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.622 HG11 HD22 ' A' ' 55' ' ' LEU . 71.9 t -61.81 134.28 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 74.23 109.293 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.538 ' O ' HG22 ' A' ' 23' ' ' THR . 59.0 t -131.36 127.16 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 23.33 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.447 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -52.19 105.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 64.1 109.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.62 -25.62 68.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 72.41 109.312 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.435 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 3.3 pt20 -152.43 172.19 16.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 73.12 110.269 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.626 HD12 ' HA ' ' A' ' 50' ' ' PRO . 8.2 tp -53.99 133.56 43.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 54.32 109.317 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.606 HD11 ' O ' ' A' ' 21' ' ' MET . 19.9 mt -135.77 106.66 9.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 72.33 109.273 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.723 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.05 173.01 15.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 53.53 110.978 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.859 HD12 ' HA ' ' A' ' 47' ' ' GLN . 4.3 tt -69.33 135.93 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 73.32 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.498 ' ND2' HG23 ' A' ' 13' ' ' ILE . 7.7 m-80 73.66 31.96 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 61.43 109.289 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.723 HG21 ' HD2' ' A' ' 12' ' ' PRO . 19.0 m -102.2 109.72 21.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 71.41 110.406 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -54.82 109.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 32.51 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.487 HD21 ' CG1' ' A' ' 45' ' ' VAL . 52.1 mt -55.6 148.27 16.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 74.11 109.309 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 p -143.65 162.15 36.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 55.32 110.41 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.4 tp -66.4 -11.9 54.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 55.11 109.304 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -100.15 0.63 10.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 70.22 109.297 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.606 ' O ' HD11 ' A' ' 11' ' ' ILE . 19.9 mtm -125.59 6.32 7.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 73.3 111.022 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.444 ' HE3' HG12 ' A' ' 41' ' ' ILE . 77.9 mtm -137.92 157.96 45.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 62.14 111.035 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 6' ' ' VAL . 15.2 t -161.65 -151.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 75.24 110.382 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.498 ' N ' HG23 ' A' ' 23' ' ' THR . 25.3 p -143.69 149.42 37.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 63.35 110.399 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -178.76 144.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 74.11 110.265 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -75.74 100.43 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 74.45 109.286 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.673 HG21 ' OG1' ' A' ' 54' ' ' THR . 11.4 m -122.18 165.77 17.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 62.4 109.293 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.482 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -139.79 130.83 14.45 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 25.34 109.963 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.01 163.13 91.44 Favored 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.017 -2.493 . . . . 51.34 110.949 0.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 p -77.73 149.54 34.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 72.52 110.408 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.613 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -127.28 -147.06 6.58 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 62.41 110.98 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.879 HG21 HD21 ' A' ' 40' ' ' LEU . 30.1 mt -40.24 139.21 1.07 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 72.1 109.285 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.0 144.98 30.87 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.764 . . . . 62.03 110.995 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.61 -19.21 57.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 45.14 109.236 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.37 -2.52 25.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 72.41 110.304 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.529 ' O ' HD23 ' A' ' 40' ' ' LEU . 21.5 m-20 -109.46 7.75 24.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 55.31 109.304 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.539 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -49.63 -49.99 69.25 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 52.45 109.331 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -75.04 -9.49 20.73 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 75.01 110.969 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.426 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 10.0 mtm180 -88.12 -36.56 16.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 74.55 110.313 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.879 HD21 HG21 ' A' ' 32' ' ' ILE . 4.0 mm? -73.85 -27.05 60.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 71.24 109.329 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -55.95 131.76 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 63.52 109.27 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.2 m 86.62 -14.25 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 44.31 110.01 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.402 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 0.7 OUTLIER -99.36 129.86 45.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 74.43 110.981 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 5.0 mt-30 -83.32 178.48 8.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 71.03 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.536 HG21 HG22 ' A' ' 11' ' ' ILE . 13.1 m -109.85 142.44 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 64.34 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.451 ' ND2' ' C ' ' A' ' 59' ' ' MET . 17.9 p30 -92.23 33.88 1.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 71.22 109.246 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.859 ' HA ' HD12 ' A' ' 13' ' ' ILE . 9.1 tt0 177.49 149.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.157 . . . . 63.54 110.277 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.414 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -66.58 104.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 73.52 109.334 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 47' ' ' GLN . 3.2 t -107.85 102.45 45.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 63.53 109.303 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.626 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.2 Cg_endo -74.97 162.54 37.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 71.22 111.003 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.435 ' HE2' ' HA ' ' A' ' 9' ' ' GLN . 31.3 ttm -57.29 143.6 38.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 72.33 111.017 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.411 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 84.93 -4.63 84.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 64.25 111.037 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.2 m -91.1 116.34 28.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.763 . . . . 73.33 110.426 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.673 ' OG1' HG21 ' A' ' 27' ' ' VAL . 90.6 m -49.98 144.63 6.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 71.43 110.374 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.622 HD22 HG11 ' A' ' 5' ' ' VAL . 8.2 tp -91.59 133.43 35.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 62.11 109.352 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.809 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.3 mmt -119.64 158.08 50.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 72.14 110.96 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.59 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.97 -9.2 20.71 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.537 1.809 . . . . 71.32 110.97 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -103.66 10.08 36.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 75.51 109.28 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.451 ' C ' ' ND2' ' A' ' 46' ' ' ASN . 35.7 mtm -119.64 8.81 11.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 52.22 111.007 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.625 HG21 HD12 ' A' ' 40' ' ' LEU . 52.4 t -124.07 132.07 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 63.21 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -84.96 149.4 25.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 74.21 109.315 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.96 12.22 35.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 73.44 110.931 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.608 ' CD1' ' N ' ' A' ' 64' ' ' ALA . 61.8 t80 -79.96 174.61 11.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 0.735 . . . . 71.52 111.056 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.608 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.58 158.45 0.34 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 72.52 109.297 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.512 1.796 . . . . 71.55 111.019 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 63.45 109.267 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.509 0.195 . . . . 73.44 110.988 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -102.37 133.22 47.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 54.52 109.301 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -90.39 111.46 22.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 72.21 110.299 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -86.53 114.86 23.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 74.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 6' ' ' VAL . 15.5 m -101.26 154.43 18.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 74.53 109.958 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.472 HG11 HD22 ' A' ' 55' ' ' LEU . 71.6 t -63.9 135.46 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 73.32 109.267 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.71 ' O ' HG22 ' A' ' 23' ' ' THR . 47.5 t -131.54 125.56 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 53.3 109.261 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.542 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -48.54 105.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 63.54 109.307 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.31 -26.46 68.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 74.42 109.291 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.477 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 4.7 pt20 -154.57 176.17 12.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 65.15 110.328 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 50' ' ' PRO . 9.3 tp -58.69 114.27 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 74.1 109.307 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.808 HD11 ' O ' ' A' ' 21' ' ' MET . 9.7 mt -113.81 108.1 51.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 75.34 109.293 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.876 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.1 Cg_endo -75.04 165.25 31.66 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.495 1.787 . . . . 72.22 111.012 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.417 HG13 ' N ' ' A' ' 47' ' ' GLN . 1.3 tt -68.72 139.98 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 73.53 109.354 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 70.5 28.96 3.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 75.22 109.289 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.876 HG21 ' HD2' ' A' ' 12' ' ' PRO . 28.6 m -105.36 112.39 25.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 75.05 110.357 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.1 109.12 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 71.11 109.263 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.454 HD13 ' HB3' ' A' ' 40' ' ' LEU . 64.3 mt -55.05 149.08 12.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 75.4 109.316 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.7 p -142.61 161.64 37.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 65.2 110.419 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 11.8 tp -66.15 -12.78 58.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 72.32 109.286 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.6 m -99.46 1.12 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 60.32 109.28 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.808 ' O ' HD11 ' A' ' 11' ' ' ILE . 16.9 mtm -125.67 10.83 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 75.44 111.028 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.1 mtm -140.74 157.43 45.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 75.4 110.979 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.71 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.2 t -161.97 -167.51 1.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 70.21 110.427 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.436 ' N ' ' OG1' ' A' ' 23' ' ' THR . 25.8 p -128.62 151.33 49.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 61.1 110.402 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 177.86 136.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 71.4 110.331 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.8 t -70.2 105.16 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 71.02 109.302 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.712 HG21 ' OG1' ' A' ' 54' ' ' THR . 13.5 m -126.56 166.49 22.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 74.11 109.274 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.476 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 5.6 t -139.36 130.64 14.86 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 74.42 110.01 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.97 162.71 92.31 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.011 -2.495 . . . . 40.45 110.982 -0.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -80.51 149.76 29.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 74.13 110.419 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.622 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -125.63 -145.41 6.46 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.117 . . . . 71.51 111.017 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.756 HG21 HD21 ' A' ' 40' ' ' LEU . 69.9 mt -44.17 139.86 3.04 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 0.76 . . . . 55.32 109.301 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.62 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.1 Cg_endo -75.04 147.36 33.66 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.506 1.793 . . . . 64.43 111.006 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.02 -19.74 54.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 52.33 109.278 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -71.7 -4.51 27.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 63.44 110.281 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.526 ' O ' HD23 ' A' ' 40' ' ' LEU . 10.0 m-20 -106.19 4.84 29.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 72.12 109.314 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.543 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -51.95 -49.96 80.99 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 73.51 109.337 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 -1.44 11.23 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.504 1.791 . . . . 63.45 111.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 67.8 mtp180 -97.54 -41.15 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 74.52 110.247 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.854 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -68.46 -26.44 65.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 74.35 109.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.558 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.4 mm -56.14 130.4 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 74.51 109.311 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 87.23 -15.69 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 53.22 109.943 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 1.5 mtm -99.13 129.69 45.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 44.14 110.978 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.8 mt-30 -80.89 177.82 8.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 61.4 110.32 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.516 HG21 HG22 ' A' ' 11' ' ' ILE . 3.0 m -108.34 143.0 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 72.13 109.272 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 59' ' ' MET . 20.3 p30 -92.62 32.79 1.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 74.14 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.702 ' O ' HG23 ' A' ' 49' ' ' VAL . 9.6 tt0 175.75 148.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 75.34 110.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.412 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.9 t -64.2 106.95 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 45.13 109.287 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 47' ' ' GLN . 11.9 t -108.83 101.7 45.12 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 75.01 109.277 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.438 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -74.99 162.68 36.74 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.513 1.796 . . . . 72.41 110.957 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.477 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 32.0 ttm -59.82 143.53 50.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 61.4 110.987 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 85.45 -9.97 65.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.566 1.166 . . . . 71.13 110.988 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.9 m -87.56 115.05 24.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 54.21 110.409 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.712 ' OG1' HG21 ' A' ' 27' ' ' VAL . 39.1 m -49.73 144.46 6.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 64.14 110.38 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.472 HD22 HG11 ' A' ' 5' ' ' VAL . 10.0 tp -91.76 135.84 33.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 74.25 109.29 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.723 ' O ' HD11 ' A' ' 32' ' ' ILE . 11.2 mmt -117.94 158.69 45.27 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 53.14 111.004 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.594 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -74.97 -8.6 20.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.541 1.811 . . . . 74.5 111.007 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.91 1.65 31.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 65.22 109.336 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.457 ' C ' ' ND2' ' A' ' 46' ' ' ASN . 34.3 mtm -111.26 9.67 21.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 71.14 110.965 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.854 HG11 ' CD1' ' A' ' 40' ' ' LEU . 86.6 t -124.29 134.5 66.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 42.14 109.299 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.428 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -88.16 150.03 23.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 73.43 109.284 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.43 14.3 33.92 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.135 . . . . 64.01 111.026 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.691 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 53.2 t80 -83.73 173.6 11.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 73.41 111.011 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 162.25 159.28 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 55.25 109.269 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.03 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.47 1.774 . . . . 74.43 110.965 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 43.13 109.295 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.474 0.178 . . . . 74.14 111.019 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.7 ' ND2' HG11 ' A' ' 26' ' ' VAL . 11.9 t-20 -119.22 135.93 54.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 72.14 109.311 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -55.33 109.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 72.04 110.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -98.06 112.32 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 74.2 110.305 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.472 ' O ' HG23 ' A' ' 6' ' ' VAL . 13.2 m -100.9 149.66 23.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 61.0 109.974 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.578 HG12 ' HB2' ' A' ' 55' ' ' LEU . 60.3 t -59.2 140.19 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 74.01 109.274 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.707 ' O ' HG22 ' A' ' 23' ' ' THR . 57.4 t -136.55 128.48 44.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 75.42 109.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.3 105.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 73.34 109.288 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.22 -27.4 69.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 70.31 109.287 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.34 -174.59 4.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 73.15 110.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.449 ' HA ' ' HA ' ' A' ' 50' ' ' PRO . 6.8 tp -71.58 104.72 3.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 74.43 109.302 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.969 HD11 ' O ' ' A' ' 21' ' ' MET . 22.5 mt -101.6 109.98 60.65 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 52.23 109.253 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.885 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.04 170.68 19.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.459 1.768 . . . . 54.13 110.982 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.85 HD12 ' HA ' ' A' ' 47' ' ' GLN . 6.7 tt -70.92 144.66 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 70.13 109.324 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.448 HD22 ' N ' ' A' ' 14' ' ' ASN . 1.4 m-80 60.96 36.11 18.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 72.03 109.286 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.885 HG21 ' HD2' ' A' ' 12' ' ' PRO . 48.2 m -110.89 110.88 21.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 64.44 110.382 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -50.5 111.06 0.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 54.14 109.284 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.437 HD21 ' CG1' ' A' ' 45' ' ' VAL . 61.4 mt -57.52 150.14 19.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 61.43 109.31 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 p -143.51 161.29 38.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 73.44 110.387 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.534 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 8.0 tp -65.38 -17.79 64.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 75.04 109.349 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -93.79 1.28 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 64.4 109.272 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.969 ' O ' HD11 ' A' ' 11' ' ' ILE . 43.9 mtm -125.51 5.9 7.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 71.21 111.042 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 67.4 mtm -135.17 157.27 47.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 74.25 110.967 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.707 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.8 t -161.72 -170.11 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 51.42 110.415 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.443 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.6 p -125.41 151.26 46.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 54.51 110.392 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.1 tmt_? 179.11 129.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 72.14 110.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.7 HG11 ' ND2' ' A' ' 1' ' ' ASN . 3.0 t -67.15 90.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 73.42 109.261 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.826 HG21 ' OG1' ' A' ' 54' ' ' THR . 13.6 m -108.61 165.44 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 75.24 109.325 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.436 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 6.3 t -137.32 130.49 17.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 62.03 110.006 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -74.94 162.8 92.09 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.04 -2.484 . . . . 75.13 110.997 -0.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -77.34 149.29 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 74.41 110.427 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.75 -143.6 5.88 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.466 1.104 . . . . 72.35 110.995 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.705 HD11 ' O ' ' A' ' 56' ' ' MET . 67.1 mt -43.82 139.73 2.79 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 0.747 . . . . 63.34 109.346 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.62 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -74.99 144.06 29.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.791 . . . . 43.25 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.17 -19.82 55.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 63.1 109.262 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -3.64 25.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 52.4 110.285 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.525 ' O ' HD23 ' A' ' 40' ' ' LEU . 18.9 m-20 -108.28 5.56 25.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.117 . . . . 64.12 109.305 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -50.07 -49.63 74.07 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 74.11 109.305 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -75.05 -8.64 20.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.511 1.795 . . . . 64.34 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 15.5 mtm180 -89.15 -37.87 14.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 73.42 110.319 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.756 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -72.64 -26.28 61.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 73.3 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.27 131.32 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 75.02 109.329 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER 86.05 -13.86 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 71.35 109.987 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.6 mtm -99.82 127.04 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 74.52 110.989 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 3.1 mt-30 -77.96 179.48 6.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 54.43 110.277 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.598 HG21 HG22 ' A' ' 11' ' ' ILE . 2.9 m -112.18 143.8 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 71.52 109.305 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 46' ' ' ASN . 24.2 p30 -92.65 32.55 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 74.25 109.3 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.85 ' HA ' HD12 ' A' ' 13' ' ' ILE . 9.1 tt0 176.04 149.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 72.23 110.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.415 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.7 t -66.2 106.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 60.22 109.273 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 47' ' ' GLN . 15.9 t -109.23 101.05 43.75 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 74.11 109.35 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 10' ' ' LEU . 18.4 Cg_endo -75.0 166.96 28.1 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.486 1.782 . . . . 44.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.7 ttp -61.04 147.43 43.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 74.34 111.015 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.3 -9.86 60.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 33.13 111.012 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.3 m -87.12 115.37 24.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 60.21 110.382 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.826 ' OG1' HG21 ' A' ' 27' ' ' VAL . 97.0 m -49.55 144.29 6.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 73.42 110.423 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.578 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -87.26 130.19 34.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 62.54 109.268 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.705 ' O ' HD11 ' A' ' 32' ' ' ILE . 5.9 mmt -116.29 154.17 48.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.497 1.123 . . . . 64.52 110.975 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.2 Cg_endo -75.01 -11.81 21.47 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.555 1.818 . . . . 72.32 111.009 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -100.94 10.36 41.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 73.15 109.28 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.62 ' HE2' ' H ' ' A' ' 56' ' ' MET . 35.4 mtm -120.77 9.37 10.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 72.04 111.006 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.756 HG11 ' CD1' ' A' ' 40' ' ' LEU . 94.7 t -122.67 132.93 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 70.11 109.312 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.455 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -85.36 149.08 25.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 75.13 109.3 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.17 14.53 33.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.547 1.154 . . . . 54.21 110.97 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 69.2 t80 -80.68 174.96 11.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 0.761 . . . . 74.54 111.008 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.565 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 171.77 158.88 0.24 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 42.51 109.308 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.488 1.783 . . . . 62.13 111.002 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 63.44 109.268 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 3.9 ptp . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.515 0.198 . . . . 74.34 110.98 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -126.3 114.94 18.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 73.33 109.326 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.1 tp60 -57.31 113.11 1.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 63.11 110.294 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -91.46 113.7 26.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 73.3 110.278 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.8 m -101.28 149.8 23.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 70.45 109.961 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.57 HG12 ' HB2' ' A' ' 55' ' ' LEU . 62.5 t -59.28 139.39 19.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 60.42 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.704 ' O ' HG22 ' A' ' 23' ' ' THR . 58.4 t -136.37 128.93 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 70.22 109.316 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.443 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -49.24 105.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 75.12 109.304 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.18 -26.48 68.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 71.43 109.306 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.462 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 4.2 pt20 -156.52 175.13 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 72.35 110.306 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tp -55.84 118.08 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 61.44 109.269 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.853 HD11 ' O ' ' A' ' 21' ' ' MET . 13.0 mt -120.05 108.03 39.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.088 . . . . 70.11 109.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.859 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -75.02 172.06 17.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 70.35 111.013 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.885 HD12 ' HA ' ' A' ' 47' ' ' GLN . 13.1 tt -73.4 140.05 18.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 73.24 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 69.77 30.6 3.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 72.15 109.304 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.859 HG21 ' HD2' ' A' ' 12' ' ' PRO . 37.1 m -105.91 112.75 25.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 53.14 110.392 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -53.72 112.14 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 72.41 109.244 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.78 ' CD1' HD12 ' A' ' 40' ' ' LEU . 68.9 mt -57.31 149.22 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 54.22 109.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.2 p -142.39 160.83 39.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 75.31 110.413 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HB2' HD11 ' A' ' 41' ' ' ILE . 12.0 tp -66.42 -11.12 50.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 73.12 109.302 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -101.57 2.37 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 43.14 109.34 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.853 ' O ' HD11 ' A' ' 11' ' ' ILE . 23.3 mtm -125.52 8.75 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 71.02 111.023 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.417 ' SD ' ' CB ' ' A' ' 40' ' ' LEU . 77.9 mtm -137.63 156.63 47.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 74.42 111.019 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.704 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.5 t -161.09 -167.19 1.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 72.33 110.421 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.437 ' N ' ' OG1' ' A' ' 23' ' ' THR . 24.9 p -127.93 152.38 47.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 62.54 110.383 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? 178.02 132.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 62.42 110.294 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.84 91.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 74.44 109.31 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.82 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.8 m -110.19 165.03 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 70.23 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.433 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 4.1 t -137.52 130.66 17.01 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 62.14 110.017 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.5 Cg_endo -74.93 162.59 92.51 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 121.048 -2.48 . . . . 72.41 111.017 -0.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -75.82 151.25 37.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 73.21 110.379 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.98 -143.98 5.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 64.51 111.034 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.682 HG23 ' HD2' ' A' ' 33' ' ' PRO . 91.0 mt -45.65 141.24 4.05 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 75.12 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -74.96 149.82 37.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.802 . . . . 70.11 111.024 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.25 -15.43 47.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 70.12 109.293 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.81 -6.04 50.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 71.42 110.298 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.562 ' O ' HD23 ' A' ' 40' ' ' LEU . 16.4 m-20 -102.52 -3.13 27.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 63.44 109.266 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.538 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -44.67 -50.04 25.24 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 70.12 109.299 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.98 -17.62 19.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 62.31 111.028 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.464 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 67.0 mtp180 -79.99 -30.31 39.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 75.54 110.36 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.934 HD11 HG21 ' A' ' 60' ' ' VAL . 3.5 mm? -78.23 -29.84 48.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 74.54 109.268 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.556 ' O ' ' CB ' ' A' ' 42' ' ' SER . 2.2 mm -50.79 127.17 6.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 72.21 109.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.7 p 89.92 -29.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 52.22 110.026 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.412 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 2.3 mtm -84.46 130.17 34.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 74.34 111.017 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.5 mt-30 -83.01 -179.0 7.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 63.11 110.28 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.619 HG21 HG22 ' A' ' 11' ' ' ILE . 2.5 m -111.02 143.21 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 74.21 109.258 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -92.39 31.85 1.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 62.23 109.328 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.885 ' HA ' HD12 ' A' ' 13' ' ' ILE . 9.3 tt0 177.29 149.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 71.23 110.323 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.409 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.9 t -66.65 104.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 71.31 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 47' ' ' GLN . 11.7 t -106.74 104.48 51.46 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 51.04 109.303 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 166.76 28.53 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 64.44 110.978 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 34.8 ttm -61.85 145.39 52.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 72.35 111.0 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.415 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 84.29 -11.53 57.86 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 51.42 111.008 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.4 m -82.66 117.29 22.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 0.723 . . . . 61.14 110.403 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.82 ' OG1' HG21 ' A' ' 27' ' ' VAL . 99.8 m -49.67 144.12 6.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 62.3 110.413 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.57 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -88.45 125.63 34.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 72.4 109.329 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.636 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.9 mmt -110.79 154.45 43.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 73.03 111.003 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.604 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.1 Cg_endo -75.02 -15.4 20.72 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.502 1.79 . . . . 73.01 110.989 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -99.92 12.34 37.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 74.42 109.306 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.636 ' HE2' ' H ' ' A' ' 56' ' ' MET . 27.0 mtm -120.94 10.76 10.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 63.23 111.006 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.934 HG21 HD11 ' A' ' 40' ' ' LEU . 45.4 t -125.87 136.93 59.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 72.24 109.314 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.437 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -89.89 142.83 27.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.42 109.297 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.21 15.21 67.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.092 . . . . 63.34 110.982 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.701 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 45.8 t80 -86.39 173.64 9.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 0.751 . . . . 75.21 111.02 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 161.85 160.45 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 71.32 109.34 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 64.12 111.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 73.51 109.278 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 9.4 ptm . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.492 0.187 . . . . 54.14 111.053 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -131.02 117.65 19.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 61.12 109.328 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -73.21 109.42 6.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 75.13 110.332 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -87.62 117.34 26.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 75.05 110.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 6' ' ' VAL . 14.7 m -102.64 154.24 19.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 52.1 109.97 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.854 ' CG1' HD12 ' A' ' 55' ' ' LEU . 77.7 t -63.46 136.84 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 41.43 109.274 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.724 ' O ' HG22 ' A' ' 23' ' ' THR . 45.9 t -131.88 125.15 54.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 63.42 109.315 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.72 105.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 72.35 109.313 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.07 -27.95 69.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 54.52 109.334 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.462 ' HA ' ' CE ' ' A' ' 51' ' ' MET . 0.2 OUTLIER -148.16 175.91 10.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 73.22 110.293 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 50' ' ' PRO . 7.2 tp -63.59 103.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 75.22 109.277 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.936 HD11 ' O ' ' A' ' 21' ' ' MET . 18.7 mt -99.67 109.14 54.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 75.34 109.308 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.873 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.4 Cg_endo -74.99 169.14 23.29 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.497 1.788 . . . . 72.11 111.001 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.1 tt -71.19 141.83 16.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 70.34 109.324 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 66.78 31.41 7.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 64.24 109.298 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.873 HG21 ' HD2' ' A' ' 12' ' ' PRO . 26.7 m -107.34 112.11 24.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 75.21 110.373 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.411 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -52.92 110.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 72.15 109.31 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.422 ' CD2' HG21 ' A' ' 11' ' ' ILE . 62.5 mt -56.96 148.02 22.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 72.52 109.256 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 16' ' ' ALA . 21.7 p -141.3 161.68 37.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 42.2 110.365 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.55 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.2 tp -66.15 -13.09 59.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 64.25 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.4 m -98.24 0.45 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 62.13 109.301 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.936 ' O ' HD11 ' A' ' 11' ' ' ILE . 34.0 mtm -125.59 9.31 7.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 65.13 111.014 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.437 ' CE ' HG12 ' A' ' 41' ' ' ILE . 75.3 mtm -137.14 154.8 50.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 73.23 111.007 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 6' ' ' VAL . 9.2 t -161.62 -173.2 3.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 74.41 110.402 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.429 ' N ' ' OG1' ' A' ' 23' ' ' THR . 18.3 p -123.72 149.17 45.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 54.04 110.446 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.448 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.1 tmt_? 179.89 132.54 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 65.22 110.299 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 t -65.7 106.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 53.33 109.29 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.856 HG21 ' OG1' ' A' ' 54' ' ' THR . 12.4 m -128.12 165.17 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 70.55 109.334 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.48 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.0 t -138.38 130.75 16.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 63.43 110.016 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.48 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.0 162.78 92.18 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 121.027 -2.489 . . . . 72.33 110.999 0.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 p -79.85 150.28 30.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 75.53 110.391 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.575 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -126.44 -146.37 6.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.483 1.114 . . . . 65.03 110.977 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.753 HG21 HD21 ' A' ' 40' ' ' LEU . 62.7 mt -43.76 139.74 2.74 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.457 0.739 . . . . 74.45 109.275 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.2 Cg_endo -75.03 147.77 34.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 74.31 110.992 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.11 -19.74 54.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 74.22 109.305 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -71.61 -4.48 27.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 71.11 110.31 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.531 ' O ' HD23 ' A' ' 40' ' ' LEU . 8.9 m-20 -106.55 4.71 28.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 71.35 109.323 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.55 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -52.26 -49.72 83.38 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 60.4 109.319 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.04 -1.52 11.34 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.782 . . . . 73.33 111.006 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 64' ' ' ALA . 66.0 mtp180 -97.6 -41.2 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 54.11 110.305 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.809 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -68.35 -26.56 65.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 70.14 109.334 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.55 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.5 mm -55.64 130.17 17.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 60.41 109.269 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 1.2 t 87.56 -16.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 71.23 109.991 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 1.5 mtm -98.2 129.62 44.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 75.14 111.007 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 2.2 mt-30 -80.57 179.05 7.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 63.35 110.302 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.608 HG21 HG22 ' A' ' 11' ' ' ILE . 2.5 m -109.73 143.23 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 65.32 109.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -92.4 32.96 1.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 61.32 109.301 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.483 ' O ' HG23 ' A' ' 49' ' ' VAL . 8.9 tt0 175.32 149.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 75.13 110.299 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.409 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.5 t -66.36 107.41 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 64.45 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 47' ' ' GLN . 62.8 t -106.03 104.43 49.4 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 63.43 109.267 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.497 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.98 151.19 39.29 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 63.32 110.984 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 9' ' ' GLN . 32.8 ttm -50.03 142.91 8.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 61.34 110.993 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.406 ' N ' ' HG2' ' A' ' 51' ' ' MET . . . 85.95 -12.32 60.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.559 1.162 . . . . 71.03 110.982 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.4 m -83.93 115.41 22.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 63.44 110.379 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.856 ' OG1' HG21 ' A' ' 27' ' ' VAL . 45.3 m -50.67 142.94 10.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 74.42 110.437 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.854 HD12 ' CG1' ' A' ' 5' ' ' VAL . 5.8 mt -89.47 134.41 34.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 72.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.751 ' O ' HD11 ' A' ' 32' ' ' ILE . 7.0 mmt -116.76 158.08 44.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 71.1 110.977 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.595 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.5 Cg_endo -74.97 -9.96 21.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.559 1.821 . . . . 72.22 111.055 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -104.63 11.44 34.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 73.54 109.32 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.449 ' SD ' ' NE2' ' A' ' 47' ' ' GLN . 32.5 mtm -120.75 5.11 10.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 74.3 111.011 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.809 HG11 ' CD1' ' A' ' 40' ' ' LEU . 96.4 t -119.33 137.22 53.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 74.21 109.301 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -89.69 146.75 24.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 72.43 109.294 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.64 16.05 54.97 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.55 1.156 . . . . 61.24 111.029 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.695 ' O ' ' HB2' ' A' ' 64' ' ' ALA . 50.3 t80 -85.32 173.6 10.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 74.23 110.973 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 63' ' ' TYR . . . 161.96 160.44 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 60.21 109.33 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 72.42 110.99 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 75.23 109.304 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.489 0.185 . . . . 53.23 111.026 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -139.91 123.55 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 72.22 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -109.92 103.83 12.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 71.52 110.265 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -85.33 112.81 21.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 72.21 110.292 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -101.97 149.46 24.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 65.21 110.02 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.731 HG11 HD23 ' A' ' 55' ' ' LEU . 61.1 t -61.34 135.86 25.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 70.21 109.283 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.808 ' O ' HG22 ' A' ' 23' ' ' THR . 44.9 t -132.81 124.14 50.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 51.14 109.312 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.47 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -48.34 105.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 35.12 109.327 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.31 -26.04 68.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 64.31 109.275 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.482 ' HA ' ' HE2' ' A' ' 51' ' ' MET . 1.5 pt20 -156.62 169.81 23.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 72.32 110.324 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 50' ' ' PRO . 14.8 tp -49.34 128.05 16.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 54.4 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.754 HD11 ' O ' ' A' ' 21' ' ' MET . 14.9 mt -130.26 106.2 16.21 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 73.04 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.773 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.05 173.31 14.73 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.504 1.792 . . . . 75.53 110.969 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 47' ' ' GLN . 3.9 tt -67.75 143.67 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 71.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.529 HD22 ' N ' ' A' ' 14' ' ' ASN . 1.2 m-80 60.96 40.34 15.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 74.42 109.338 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.773 HG21 ' HD2' ' A' ' 12' ' ' PRO . 18.3 m -106.65 108.85 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 72.15 110.372 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 44' ' ' GLN . . . -51.9 105.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 75.23 109.331 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.448 HD21 ' CG1' ' A' ' 45' ' ' VAL . 67.2 mt -55.43 148.05 16.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 72.14 109.317 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -143.39 162.21 36.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 51.42 110.362 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.0 tp -66.86 -12.09 57.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 75.04 109.256 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 m -100.77 1.03 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 54.02 109.335 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.754 ' O ' HD11 ' A' ' 11' ' ' ILE . 19.4 mtm -125.52 9.59 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 71.01 111.01 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.3 mtm -138.36 157.91 45.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 62.2 111.005 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.808 HG22 ' O ' ' A' ' 6' ' ' VAL . 8.9 t -161.69 -173.65 3.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 72.13 110.343 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -124.48 150.11 46.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 72.51 110.392 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.535 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.0 OUTLIER 179.27 129.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 74.13 110.302 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.0 t -63.87 102.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 75.01 109.289 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.816 HG21 ' OG1' ' A' ' 54' ' ' THR . 13.4 m -122.56 165.68 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 52.43 109.301 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.433 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.6 t -137.55 130.43 16.88 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 74.4 110.006 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.433 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.3 Cg_endo -75.0 162.47 92.79 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.947 -2.522 . . . . 62.54 111.047 -0.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p -78.9 144.51 34.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 75.23 110.416 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.508 ' HA3' ' HE2' ' A' ' 56' ' ' MET . . . -122.58 -144.6 6.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.554 1.159 . . . . 70.33 111.008 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.491 HG22 ' CG2' ' A' ' 5' ' ' VAL . 13.9 mt -41.38 137.44 1.69 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 62.12 109.329 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.3 Cg_endo -75.0 143.97 29.68 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 70.21 110.992 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.37 -19.64 56.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 65.35 109.281 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.01 -3.43 26.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 51.22 110.294 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.516 ' O ' HD23 ' A' ' 40' ' ' LEU . 19.6 m-20 -108.93 6.28 25.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 74.11 109.275 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.551 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -52.14 -49.55 83.93 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 60.23 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -74.98 -2.05 12.03 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.525 1.803 . . . . 73.25 111.001 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' NH2' ' OD2' ' A' ' 36' ' ' ASP . 18.4 mtm180 -97.38 -39.92 8.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 75.03 110.303 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.72 ' CD1' HG11 ' A' ' 60' ' ' VAL . 3.9 mm? -69.63 -25.83 64.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 74.13 109.304 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -56.06 131.3 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 64.13 109.315 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.2 t 86.39 -14.05 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 65.51 109.962 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.4 mtm -99.38 130.68 45.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 53.12 111.029 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 4.9 mt-30 -82.84 174.0 11.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.32 110.317 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.616 HG21 HG22 ' A' ' 11' ' ' ILE . 5.0 m -105.33 144.0 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 75.23 109.337 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.454 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 20.2 p30 -93.37 34.34 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 62.02 109.313 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.677 ' HA ' HD12 ' A' ' 13' ' ' ILE . 10.0 tt0 175.77 151.21 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 71.33 110.306 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.412 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 3.3 t -68.88 102.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 72.13 109.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 47' ' ' GLN . 10.6 t -103.55 106.67 53.18 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 74.53 109.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.576 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.4 Cg_endo -74.99 162.25 37.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 72.02 111.01 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.482 ' HE2' ' HA ' ' A' ' 9' ' ' GLN . 30.5 ttm -61.96 143.04 57.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 74.51 110.958 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.99 -9.32 69.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.461 1.101 . . . . 70.34 111.055 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.8 m -87.96 116.97 26.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 0.764 . . . . 63.22 110.418 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.816 ' OG1' HG21 ' A' ' 27' ' ' VAL . 79.5 m -49.65 144.05 6.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 53.12 110.436 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.731 HD23 HG11 ' A' ' 5' ' ' VAL . 7.8 tp -91.41 137.16 32.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 74.25 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.508 ' HE2' ' HA3' ' A' ' 31' ' ' GLY . 7.1 mmt -118.88 157.93 49.04 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 63.12 111.041 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.597 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 18.4 Cg_endo -74.99 -8.57 20.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.781 . . . . 72.43 111.043 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.28 0.01 33.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 70.32 109.317 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.48 ' HE3' ' H ' ' A' ' 56' ' ' MET . 37.9 mtm -109.75 11.24 24.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 74.4 111.028 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.72 HG11 ' CD1' ' A' ' 40' ' ' LEU . 96.2 t -124.52 135.3 64.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 34.41 109.312 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.434 ' CE ' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -88.35 149.92 23.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 74.12 109.298 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.4 14.57 27.79 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 52.53 111.075 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CE1' ' HB3' ' A' ' 57' ' ' PRO . 63.6 t80 -80.42 174.53 11.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.783 . . . . 74.53 111.013 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.583 ' N ' ' CD1' ' A' ' 63' ' ' TYR . . . 174.4 159.93 0.34 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 65.23 109.313 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 75.04 111.036 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 73.41 109.287 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.7 ptm . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.519 0.2 . . . . 62.32 111.036 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -124.97 121.66 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 75.51 109.247 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -62.92 115.53 4.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 75.33 110.301 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -93.66 115.31 27.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 74.43 110.315 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 6' ' ' VAL . 16.2 m -102.43 149.24 24.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 70.42 109.98 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.568 HG12 ' HB2' ' A' ' 55' ' ' LEU . 65.2 t -59.19 138.87 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 71.3 109.315 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.554 ' O ' HG22 ' A' ' 23' ' ' THR . 67.5 t -135.79 126.66 43.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 71.34 109.279 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.431 ' HB1' HD12 ' A' ' 11' ' ' ILE . . . -47.18 106.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 61.32 109.265 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.58 -25.8 68.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 54.51 109.272 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.415 ' HA ' ' CG ' ' A' ' 51' ' ' MET . 4.0 pt20 -156.5 178.28 10.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 73.52 110.301 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 50' ' ' PRO . 10.5 tp -59.08 113.09 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 72.32 109.322 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.901 HD11 ' O ' ' A' ' 21' ' ' MET . 17.6 mt -113.07 107.84 53.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 74.52 109.254 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.903 ' HD2' HG21 ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.01 171.05 19.07 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.795 . . . . 55.23 111.002 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.6 tt -72.15 146.0 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 63.05 109.348 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 63.4 28.55 15.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 72.15 109.273 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.903 HG21 ' HD2' ' A' ' 12' ' ' PRO . 31.8 m -104.19 111.74 24.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 74.41 110.397 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 18' ' ' THR . . . -53.59 111.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 54.34 109.277 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD21 ' CG1' ' A' ' 45' ' ' VAL . 55.1 mt -55.93 149.78 14.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 65.43 109.275 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 16' ' ' ALA . 24.6 p -143.42 161.5 38.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 74.22 110.363 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.541 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 12.4 tp -65.61 -15.35 62.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 65.24 109.307 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.7 m -96.15 1.0 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 74.34 109.293 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.901 ' O ' HD11 ' A' ' 11' ' ' ILE . 16.8 mtm -125.61 6.76 7.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 73.54 110.993 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.2 mtm -138.61 157.5 46.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 73.02 110.991 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 6' ' ' VAL . 15.4 t -161.47 -155.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 75.34 110.408 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.42 ' N ' HG23 ' A' ' 23' ' ' THR . 29.9 p -138.31 152.89 48.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 75.22 110.46 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? 176.78 136.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 73.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.9 100.08 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 71.51 109.332 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.621 HG21 ' OG1' ' A' ' 54' ' ' THR . 13.2 m -120.26 166.47 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 74.23 109.269 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.479 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -139.48 130.74 14.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 70.22 110.028 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 28' ' ' SER . 18.4 Cg_endo -74.96 162.7 92.32 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.965 -2.514 . . . . 70.44 111.033 -0.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -77.91 150.3 34.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 75.43 110.385 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.87 -143.61 5.86 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.505 1.128 . . . . 71.42 111.033 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.671 HG21 HD21 ' A' ' 40' ' ' LEU . 88.4 mt -45.64 140.4 4.43 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.431 0.724 . . . . 75.2 109.264 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.645 ' HD2' HG23 ' A' ' 32' ' ' ILE . 18.4 Cg_endo -74.91 145.73 32.18 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.449 1.763 . . . . 75.43 110.99 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.41 -20.87 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 75.22 109.267 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.01 -5.22 29.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 64.12 110.331 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.544 ' O ' HD23 ' A' ' 40' ' ' LEU . 12.8 m-20 -105.99 6.44 31.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 54.11 109.346 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.54 ' N ' ' CD ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -49.53 -50.04 68.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 74.12 109.292 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 -10.52 21.21 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.568 1.825 . . . . 72.1 110.996 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' NH2' ' OD1' ' A' ' 36' ' ' ASP . 13.2 mtm180 -86.38 -36.49 19.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 72.11 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.73 ' CD1' HG11 ' A' ' 60' ' ' VAL . 4.1 mm? -74.53 -27.21 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 74.23 109.338 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.541 ' CD1' ' N ' ' A' ' 19' ' ' LEU . 1.3 mm -55.96 130.82 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 42.42 109.321 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 41' ' ' ILE . 2.3 m 86.52 -14.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 63.2 110.01 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.5 mtm -99.97 127.71 46.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 74.21 110.995 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 16' ' ' ALA . 4.2 mt-30 -79.45 -179.83 7.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 71.14 110.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.498 HG21 HG22 ' A' ' 11' ' ' ILE . 3.7 m -112.76 143.67 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 33.42 109.274 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.503 ' ND2' ' N ' ' A' ' 60' ' ' VAL . 17.1 p30 -91.87 33.32 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 54.35 109.356 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.627 ' O ' HG23 ' A' ' 49' ' ' VAL . 9.1 tt0 175.66 148.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 65.3 110.286 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.407 ' N ' ' HG2' ' A' ' 47' ' ' GLN . 2.6 t -66.95 104.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 74.13 109.322 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 47' ' ' GLN . 13.8 t -106.64 105.35 54.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 64.13 109.333 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.48 ' HA ' HD12 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.05 166.5 29.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.78 . . . . 62.41 110.998 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.415 ' CG ' ' HA ' ' A' ' 9' ' ' GLN . 16.6 ttp -62.21 146.7 50.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 54.24 111.037 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.2 -9.45 60.91 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 61.11 110.992 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.0 m -85.39 118.56 25.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 64.44 110.379 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.621 ' OG1' HG21 ' A' ' 27' ' ' VAL . 61.8 m -50.26 144.05 7.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 75.44 110.394 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.568 ' HB2' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -88.66 125.99 35.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 72.43 109.324 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.6 ' H ' ' HE2' ' A' ' 59' ' ' MET . 5.9 mmt -112.41 153.99 44.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 65.14 110.958 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.625 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 18.3 Cg_endo -75.02 -8.81 20.38 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 74.15 110.979 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.19 0.26 40.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 71.24 109.328 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.6 ' HE2' ' H ' ' A' ' 56' ' ' MET . 43.9 mtm -114.11 20.87 15.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.53 111.003 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.73 HG11 ' CD1' ' A' ' 40' ' ' LEU . 95.6 t -132.81 128.82 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 73.22 109.266 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.18 150.41 26.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.163 . . . . 71.42 109.315 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.7 14.96 24.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.101 . . . . 51.52 110.995 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' A' ' 57' ' ' PRO . 66.7 t80 -80.21 174.71 11.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 0.785 . . . . 74.21 110.996 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.566 ' N ' ' CD2' ' A' ' 63' ' ' TYR . . . 175.03 159.66 0.37 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 52.01 109.321 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.479 1.778 . . . . 73.55 110.966 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 32.23 109.295 -179.984 . . . . . . . . 0 0 . 1 stop_ save_