data_1qfr_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 1qfr _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' ' ' GLU . . . . . 0.482 ' O ' ' O ' ' A' ' 65' ' ' VAL . 7.8 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.295 -0.261 . . . . 1.0 110.295 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.727 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.03 152.91 23.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.258 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.829 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 44.6 tptt -136.17 112.14 9.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.691 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -81.57 161.66 23.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 1.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.855 ' O ' ' O ' ' A' ' 61' ' ' VAL . 92.7 m-85 -163.79 -177.31 5.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 1.0 111.013 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.914 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -144.54 139.06 27.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 1.0 109.564 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 1.026 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.1 mm -67.21 123.7 20.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 1.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.591 HG13 ' CD2' ' A' ' 7' ' ' HIS . 15.4 m -117.02 4.92 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 1.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.494 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -86.03 -19.5 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 1.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 15.0 pt-20 45.46 17.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.0 110.249 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.671 HG21 ' HG3' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -77.28 -60.98 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 1.0 110.404 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.75 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 141.79 22.96 0.23 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 1.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.679 ' CD1' ' CD2' ' A' ' 86' ' ' LEU . 0.7 OUTLIER 33.47 73.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 1.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.823 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.3 p80 -98.09 177.34 5.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 1.0 109.595 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.683 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.98 -35.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.881 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -64.96 -73.69 0.21 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.291 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.881 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -74.97 -30.53 7.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 1.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.979 ' O ' HG11 ' A' ' 23' ' ' VAL . . . -57.24 -53.94 52.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 1.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.847 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -71.67 -36.17 70.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 1.0 110.473 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.675 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -40.02 -52.37 2.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 1.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -72.17 -53.34 12.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 1.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.979 HG11 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.46 -45.11 81.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 1.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.847 ' N ' ' O ' ' A' ' 20' ' ' THR . 3.9 pt20 -57.97 -37.98 75.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 1.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.765 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -85.57 -27.61 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 1.0 110.365 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.818 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -85.03 -37.52 20.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 1.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.737 ' N ' ' O ' ' A' ' 23' ' ' VAL . 32.6 t -90.49 45.48 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 1.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.777 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.55 20.61 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.777 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 22.9 m-85 -117.21 142.59 46.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -70.86 1.26 5.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 4.6 m -105.55 176.53 5.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 1.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.832 ' N ' ' O ' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -93.26 97.15 10.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 1.0 109.25 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 1.028 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.71 127.04 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 1.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.661 ' O ' HG13 ' A' ' 63' ' ' ILE . 52.7 m-20 -140.61 177.21 8.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.618 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -119.14 143.05 47.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 1.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.921 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -127.81 116.33 20.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.735 ' CD2' ' CD2' ' A' ' 53' ' ' LEU . 2.7 t80 -118.75 124.53 47.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.648 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 24.6 mtmt 74.34 -5.48 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 1.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 37' ' ' TYR . . . 122.82 -2.82 10.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 1.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.888 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 12.9 tttt -95.49 111.24 23.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 1.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.624 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 1.5 t -104.94 117.99 35.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 109.952 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.631 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.2 m -147.43 148.09 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 1.02 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.3 m-80 -42.78 87.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.67 ' N ' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -19.97 -40.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.8 ' N ' ' O ' ' A' ' 43' ' ' ASN . 2.2 tptt -70.08 5.96 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 1.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 1.02 ' N ' ' O ' ' A' ' 43' ' ' ASN . 33.5 t -88.54 73.1 8.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 1.0 110.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -40.03 -59.84 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.592 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -40.07 -66.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.789 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -59.89 -53.01 49.4 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 1.0 110.977 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.9 OUTLIER -56.59 -51.31 67.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.761 . . . . 1.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.776 ' N ' ' O ' ' A' ' 47' ' ' ILE . 7.9 mmm -40.83 -57.66 1.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 1.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.406 ' OG ' ' NZ ' ' A' ' 40' ' ' LYS . 6.6 p -59.94 -27.9 67.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 1.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.735 ' CD2' ' CD2' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -92.16 -88.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.62 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 58.93 145.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.142 . . . . 1.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.581 ' CG1' ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -128.18 -171.72 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.783 . . . . 1.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.75 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 161.96 -96.4 0.14 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 1.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.658 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.8 pt20 -39.07 87.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 1.0 110.345 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.84 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 39.96 15.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.1 . . . . 1.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.706 ' O ' ' N ' ' A' ' 8' ' ' ILE . 5.0 m -55.81 133.96 51.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 0.798 . . . . 1.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.835 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 5.2 p-10 -97.21 147.21 24.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 1.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.855 ' O ' ' O ' ' A' ' 6' ' ' PHE . 31.2 m -147.18 179.19 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 1.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.921 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -135.6 136.91 41.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 1.0 110.399 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.661 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -109.3 155.98 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 1.028 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -135.26 145.24 47.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 1.0 110.404 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.693 HG13 ' HG2' ' A' ' 74' ' ' MET . 0.8 OUTLIER -143.51 122.81 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.832 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.8 129.85 23.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.573 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 128.31 -153.1 19.37 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 1.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.571 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -74.22 -61.19 1.94 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 0.75 . . . . 1.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.677 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -52.02 -31.12 28.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.768 ' O ' ' HG3' ' A' ' 74' ' ' MET . 3.0 pp20? -9.62 -59.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.666 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -64.21 -68.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 1.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -54.87 -47.09 74.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 1.0 110.292 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.675 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -47.42 -73.08 0.34 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.119 . . . . 1.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.768 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -56.44 -37.59 70.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 1.0 111.018 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.504 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -44.76 -55.43 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 1.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.563 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -59.82 -59.26 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.556 HG22 HG12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -45.13 -58.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.636 HG21 ' O ' ' A' ' 74' ' ' MET . 6.8 t -49.96 -60.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.903 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -54.3 -48.85 70.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.563 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -59.68 -46.62 88.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 110.424 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.61 ' CD1' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -45.36 -48.3 13.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.575 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -94.06 -13.17 27.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 1.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.903 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.82 -38.34 25.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 1.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.538 ' CB ' HD12 ' A' ' 21' ' ' LEU . 6.8 mm-40 -96.71 13.61 27.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 1.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 54.29 18.43 9.76 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 1.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 1.026 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.3 mt -79.04 -39.24 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.914 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -142.5 161.45 38.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 110.314 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.491 ' O ' HG11 ' A' ' 65' ' ' VAL . 9.3 mt-10 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.294 -0.262 . . . . 1.0 110.294 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.802 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -91.55 150.36 21.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.831 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.9 tptt -141.77 111.55 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.694 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.2 mp0 -81.23 150.34 28.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 1.0 110.307 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.864 ' O ' ' O ' ' A' ' 61' ' ' VAL . 27.9 m-85 -150.77 -173.74 4.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.944 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -149.94 136.79 19.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.599 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 1.073 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.5 mm -66.63 126.21 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.592 HG13 ' CD2' ' A' ' 7' ' ' HIS . 16.2 m -121.97 5.27 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.503 ' O ' ' CG ' ' A' ' 11' ' ' GLU . . . -83.87 -19.6 34.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 1.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.9 pt-20 46.91 16.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 1.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.656 HG22 ' HG3' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -77.26 -60.66 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.418 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.742 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 139.42 24.17 0.31 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 1.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.689 ' CD1' ' CD2' ' A' ' 86' ' ' LEU . 0.6 OUTLIER 33.49 75.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 1.0 109.332 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.817 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.3 p80 -99.27 177.03 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.614 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.725 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -39.95 -35.68 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 1.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.88 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.16 -73.55 0.21 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 1.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.88 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -74.96 -30.67 6.98 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.769 . . . . 1.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.996 ' O ' HG11 ' A' ' 23' ' ' VAL . . . -56.33 -53.96 51.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 1.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.853 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -72.89 -35.1 67.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 1.0 110.399 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.646 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.9 tt -39.81 -51.95 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 1.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -74.05 -53.06 10.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.996 HG11 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.45 -43.74 78.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 1.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.853 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.1 pt20 -59.9 -39.24 84.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 1.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.761 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -83.9 -29.79 26.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 1.0 110.406 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.779 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -83.56 -36.65 23.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.717 ' N ' ' O ' ' A' ' 23' ' ' VAL . 51.6 p -90.47 44.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 1.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.796 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -149.12 22.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 1.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.796 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 22.6 m-85 -119.18 141.46 48.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 1.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -69.65 0.13 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 3.5 m -104.62 174.84 5.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 1.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.816 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -92.77 95.89 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 1.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 1.074 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -118.86 123.82 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.661 ' O ' HG13 ' A' ' 63' ' ' ILE . 3.9 m120 -137.19 178.75 6.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.568 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -121.7 141.52 51.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.925 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -123.67 110.34 14.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 1.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.725 ' CE1' ' CG ' ' A' ' 38' ' ' LYS . 4.6 t80 -112.39 113.71 26.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 1.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.725 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 8.8 mtmt 66.67 19.26 10.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 1.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.51 -4.85 40.37 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.123 . . . . 1.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.782 ' CE ' ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -86.8 89.37 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 0.726 . . . . 1.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.584 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 4.3 t -97.18 105.82 18.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.604 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -146.08 150.96 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 1.038 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.7 m-20 -42.02 89.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 1.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.662 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -21.18 -39.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 1.0 109.246 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.798 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -85.51 22.12 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 1.038 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.9 t -94.19 105.5 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.625 ' CG2' ' N ' ' A' ' 48' ' ' MET . 0.6 OUTLIER -40.31 -88.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.625 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -39.84 -60.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 111.014 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.782 ' O ' ' CE ' ' A' ' 40' ' ' LYS . . . -48.71 -22.71 2.91 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 1.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.614 ' HB ' ' O ' ' A' ' 46' ' ' SER . 2.1 t -99.41 -41.25 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 1.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.5 ' CA ' ' HE1' ' A' ' 51' ' ' MET . 0.0 OUTLIER -40.2 -43.83 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 110.984 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -20.82 25.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 1.0 109.986 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.664 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 5.7 tt -75.18 -108.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 1.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.515 ' N ' ' CD2' ' A' ' 53' ' ' LEU . . . 61.66 117.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.498 1.124 . . . . 1.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -121.07 -172.78 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 0.74 . . . . 1.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.742 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 161.1 -93.02 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 1.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.66 ' O ' ' N ' ' A' ' 59' ' ' SER . 7.6 mt-30 -37.17 84.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 1.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.856 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 39.84 15.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 1.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.67 ' O ' ' N ' ' A' ' 8' ' ' ILE . 7.8 m -54.91 133.01 47.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 0.744 . . . . 1.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.809 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 4.6 p-10 -97.98 145.58 26.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.864 ' O ' ' O ' ' A' ' 6' ' ' PHE . 27.2 m -145.78 173.04 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 1.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.925 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.45 129.99 45.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 1.0 110.394 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.661 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -102.28 158.14 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 1.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 1.074 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.6 m -140.28 145.56 37.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 1.0 110.432 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.774 ' O ' HG11 ' A' ' 65' ' ' VAL . 2.6 p -142.73 123.22 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.816 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -137.78 132.48 32.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.711 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 129.57 -148.73 18.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 1.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.573 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -83.48 -49.66 9.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 1.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.685 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -57.32 -32.11 66.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 1.0 109.244 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.711 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 0.7 OUTLIER -5.08 -69.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 110.333 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.589 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -56.87 -72.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 1.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -50.49 -47.92 57.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 1.0 110.342 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.709 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -47.75 -78.81 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 1.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.694 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -55.23 -34.2 63.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 1.0 110.993 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 71' ' ' ALA . . . -46.29 -54.36 9.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 1.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.556 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -60.92 -56.77 17.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.558 HG23 HG12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -47.54 -61.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 74' ' ' MET . 5.7 t -45.35 -60.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 1.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.892 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -54.14 -49.69 68.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.556 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -59.01 -47.66 84.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 1.0 110.382 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.662 HD11 ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -44.25 -46.8 9.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 1.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -96.14 -14.33 22.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 110.293 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.892 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.55 -38.83 25.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.527 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 6.3 mm-40 -96.42 14.75 23.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 1.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 51.53 18.75 3.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 1.0 110.99 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 1.073 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.4 mt -81.07 -26.45 36.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 0.759 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.944 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -150.42 171.75 16.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 1.0 110.341 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.51 ' O ' HG11 ' A' ' 65' ' ' VAL . 6.1 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.338 -0.245 . . . . 1.0 110.338 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.773 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -91.77 151.73 20.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 1.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.824 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 45.7 tptt -143.37 112.66 6.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.669 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.3 mp0 -81.45 161.62 23.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 1.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.824 ' CZ ' ' CG ' ' A' ' 4' ' ' LYS . 91.5 m-85 -163.05 -176.92 5.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 1.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.973 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -144.95 133.35 21.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 1.0 109.634 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 1.026 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.6 mm -61.46 133.16 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 1.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.627 HG12 ' CD2' ' A' ' 7' ' ' HIS . 15.3 m -130.19 13.71 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 1.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.478 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -92.02 -17.68 24.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 1.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.1 pt-20 46.09 18.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 1.0 110.272 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.798 HG22 ' HG3' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -81.67 -61.02 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 1.0 110.353 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.756 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 137.69 23.36 0.44 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 1.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.691 ' CD1' ' CD2' ' A' ' 86' ' ' LEU . 0.5 OUTLIER 37.96 72.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 1.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.804 ' O ' ' N ' ' A' ' 19' ' ' ALA . 2.1 p80 -97.76 177.79 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.647 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.857 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.86 -33.77 0.33 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 1.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.871 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -66.52 -73.34 0.22 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 1.0 110.278 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.871 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -74.99 -28.68 8.97 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.802 . . . . 1.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.804 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -59.23 -50.5 73.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 1.159 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.24 -38.41 66.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 1.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.614 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.4 tt -40.22 -55.93 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 1.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 26' ' ' ALA . 1.8 pp -69.47 -64.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.159 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 2.7 p -46.53 -51.25 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 1.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.782 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -52.45 -38.64 59.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.749 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -83.97 -29.09 27.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 1.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.814 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.46 -35.09 23.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.788 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -91.54 44.63 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 109.983 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.777 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -149.98 23.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.777 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 22.3 m-85 -119.61 138.41 53.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 1.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -68.46 -4.78 16.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 1.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 69' ' ' ASP . 4.7 m -97.83 178.14 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.949 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.839 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -94.07 94.76 8.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 1.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 1.02 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -118.18 127.16 75.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 1.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.608 ' O ' HG13 ' A' ' 63' ' ' ILE . 14.7 m-20 -140.11 176.3 8.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.603 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -119.5 141.26 49.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 1.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.938 ' O ' ' N ' ' A' ' 62' ' ' THR . 43.4 tt0 -127.44 116.28 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 1.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.749 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 1.7 t80 -123.39 123.31 40.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 1.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.701 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 17.4 mtmt 71.69 -0.77 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 1.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.68 -13.78 9.27 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 1.0 111.036 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.799 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -82.05 105.4 13.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 1.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.562 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 13.4 p -108.52 112.23 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 1.0 109.974 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.681 ' O ' ' N ' ' A' ' 44' ' ' LEU . 2.3 m -145.99 147.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 1.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 1.01 ' O ' ' N ' ' A' ' 45' ' ' LYS . 1.5 m120 -44.38 84.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 1.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.688 ' C ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -11.64 -41.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 1.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 1.01 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -63.87 -2.22 1.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 1.0 109.317 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.939 ' N ' ' O ' ' A' ' 43' ' ' ASN . 12.9 t -87.97 71.59 9.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 1.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.938 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.1 tp -40.14 -52.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 1.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.475 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -40.58 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 1.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.506 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -55.66 -44.37 86.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 1.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.578 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -65.7 -49.47 77.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 1.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.938 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.5 tpp -40.05 -60.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 1.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.7 p -62.15 -14.72 40.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 109.96 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.749 ' CD1' ' HB3' ' A' ' 37' ' ' TYR . 1.1 mt -95.07 -93.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 58.54 130.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 1.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.683 HG12 ' CD2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -117.65 -175.03 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 1.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.767 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . 164.43 -92.75 0.11 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.461 1.101 . . . . 1.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.691 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.9 pt20 -35.92 80.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 1.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.973 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 43.58 7.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.538 1.149 . . . . 1.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.691 ' N ' ' O ' ' A' ' 57' ' ' GLN . 8.6 m -42.57 165.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 0.779 . . . . 1.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.81 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 3.6 p-10 -126.72 145.31 50.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.809 ' O ' ' O ' ' A' ' 6' ' ' PHE . 33.3 m -146.7 177.6 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.938 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -134.53 129.6 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 1.0 110.406 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -101.43 156.02 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 1.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 1.02 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.8 m -137.1 145.11 43.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 1.0 110.438 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.783 ' O ' HG11 ' A' ' 65' ' ' VAL . 1.6 p -143.78 123.8 8.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 1.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.839 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.42 129.99 24.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.588 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 130.38 -152.56 19.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 1.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -77.75 -55.17 5.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 1.0 109.275 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.659 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -56.08 -28.94 59.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 1.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.722 ' HA ' ' CG2' ' A' ' 65' ' ' VAL . 2.8 pp20? -12.3 -60.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 1.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.583 ' N ' ' CD ' ' A' ' 70' ' ' GLU . . . -60.55 -69.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 1.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -54.46 -47.48 72.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 1.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.715 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -47.48 -76.24 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 1.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.678 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.82 -33.58 66.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.766 . . . . 1.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.527 ' CA ' ' HE2' ' A' ' 74' ' ' MET . . . -47.48 -51.26 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.578 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -65.76 -58.47 5.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.597 HG23 ' N ' ' A' ' 78' ' ' VAL . 0.3 OUTLIER -46.05 -56.88 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 1.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.678 ' CG2' ' O ' ' A' ' 74' ' ' MET . 12.5 t -51.33 -60.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 1.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.903 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -55.52 -49.96 71.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 1.0 110.256 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.578 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -57.85 -46.51 84.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 1.0 110.423 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.587 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.04 -46.29 33.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 1.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.55 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -95.03 -12.51 26.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 1.0 110.297 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.903 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -83.64 -39.9 19.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 1.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.551 ' CB ' HD11 ' A' ' 21' ' ' LEU . 6.6 mm-40 -96.33 16.66 17.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 1.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 50.4 18.77 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 1.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 1.026 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 2.1 mt -80.07 -23.65 41.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 1.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.891 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -155.39 158.78 39.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.416 ' O ' HG13 ' A' ' 65' ' ' VAL . 4.7 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.296 -0.261 . . . . 1.0 110.296 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.758 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -117.14 160.3 21.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 1.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.858 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 48.4 tptt -145.08 114.73 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.666 ' CB ' ' OG1' ' A' ' 62' ' ' THR . 1.4 mp0 -87.76 148.16 24.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 1.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.858 ' CZ ' ' CG ' ' A' ' 4' ' ' LYS . 55.4 m-85 -147.2 -178.72 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 1.028 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -145.38 132.65 20.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.0 109.618 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.947 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.7 mm -60.82 127.65 20.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 1.0 109.366 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.603 HG11 ' CD2' ' A' ' 7' ' ' HIS . 9.2 m -125.38 8.63 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 1.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.504 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -93.13 -12.79 29.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.496 ' HA ' ' H ' ' A' ' 58' ' ' GLY . 7.8 pt-20 46.69 16.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 1.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.652 HG22 ' HG3' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -69.48 -78.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.434 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.734 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 154.39 14.44 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 1.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.579 ' CD1' ' N ' ' A' ' 14' ' ' ILE . 0.4 OUTLIER 39.06 68.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 1.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.867 ' O ' ' N ' ' A' ' 19' ' ' ALA . 3.2 p80 -99.09 -179.71 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 1.0 109.62 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.876 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -39.75 -35.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.848 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -67.62 -71.89 0.29 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 1.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.859 ' HD3' ' CE1' ' A' ' 15' ' ' HIS . 18.4 Cg_endo -75.01 -27.61 9.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 1.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.867 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -61.43 -47.3 86.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 1.15 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -73.5 -39.82 64.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 110.388 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.602 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 2.0 tt -39.82 -57.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.542 ' CD2' HD21 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -69.01 -64.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.15 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 4.8 p -46.76 -52.03 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 1.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.798 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -50.73 -38.71 49.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.369 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.797 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -83.84 -28.56 27.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.382 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.803 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.95 -33.43 22.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.78 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.8 t -91.39 42.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.022 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.802 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.72 23.85 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 1.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.802 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 21.7 m-85 -120.34 135.66 54.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.415 1.072 . . . . 1.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -64.65 -7.08 9.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 1.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.539 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -93.65 175.99 6.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 110.011 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.873 ' N ' ' O ' ' A' ' 66' ' ' ASP . 8.3 m-20 -94.83 83.58 4.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 1.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 1.034 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -104.94 128.35 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 1.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.607 ' O ' HG13 ' A' ' 63' ' ' ILE . 13.6 m-20 -138.89 174.89 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 1.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.638 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -119.39 141.79 48.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 1.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.963 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -127.12 115.93 19.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 1.0 110.337 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.733 ' CD2' ' CD2' ' A' ' 53' ' ' LEU . 1.5 t80 -118.02 127.13 53.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 1.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.733 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER 71.89 2.02 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 1.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.73 -1.59 23.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.434 1.084 . . . . 1.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.963 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 7.3 tttt -95.62 111.29 23.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 1.0 109.361 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.673 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 3.6 p -104.86 115.94 31.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 1.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.604 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -145.13 143.24 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.963 ' O ' ' N ' ' A' ' 46' ' ' SER . 3.1 m-80 -42.61 88.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 1.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.638 ' HG ' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -19.18 -38.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 1.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.872 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -64.7 -2.14 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.963 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.6 t -87.87 69.91 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 1.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.857 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -41.38 -57.2 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 1.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.559 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -39.94 -69.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 1.0 110.993 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.811 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -56.7 -51.33 57.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 1.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -60.93 -47.53 93.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 0.777 . . . . 1.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.857 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -41.56 -54.51 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 1.0 110.995 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 p -61.88 -22.61 65.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.733 ' CD2' ' CD2' ' A' ' 37' ' ' TYR . 3.6 mt -92.76 -92.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 61.18 127.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 1.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.581 HG11 ' CZ ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -112.86 -172.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 1.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.734 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 159.82 -90.85 0.11 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.421 1.076 . . . . 1.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.727 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.4 pt20 -42.16 89.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 1.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.833 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 39.01 13.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 1.0 111.031 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.727 ' N ' ' O ' ' A' ' 57' ' ' GLN . 2.1 m -51.55 167.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 1.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.803 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.0 p30 -130.92 146.45 52.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.843 ' O ' ' O ' ' A' ' 6' ' ' PHE . 33.8 m -148.55 176.83 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.9 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -134.5 133.04 39.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 1.0 110.392 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.635 HG12 HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -105.82 153.87 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 1.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 1.034 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.6 m -137.56 152.56 49.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 1.0 110.414 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 65' ' ' VAL . 4.4 p -146.24 114.06 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.873 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -132.09 124.49 29.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.427 1.079 . . . . 1.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.701 ' O ' ' CD ' ' A' ' 70' ' ' GLU . . . 141.55 -130.14 4.28 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.517 1.135 . . . . 1.0 111.01 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.539 ' N ' ' HG ' ' A' ' 31' ' ' SER . . . -98.85 -66.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 1.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.676 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -40.77 -30.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.701 ' CD ' ' O ' ' A' ' 67' ' ' GLY . 20.6 mt-10 6.89 -80.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 1.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -55.93 -68.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -46.44 -51.78 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 1.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.756 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -49.18 -78.19 0.1 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 1.0 111.034 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.647 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -55.44 -33.13 63.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 1.0 111.038 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 71' ' ' ALA . . . -46.84 -57.77 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.531 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -58.07 -57.84 11.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.635 HG22 HG12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.73 -59.04 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 1.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.647 ' CG2' ' O ' ' A' ' 74' ' ' MET . 12.5 t -49.07 -60.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 1.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.998 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -53.68 -43.47 68.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 1.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.531 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -64.92 -50.72 65.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 1.0 110.414 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.676 HD11 ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -42.05 -45.3 3.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 1.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.578 ' NE2' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -95.89 -15.84 22.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 1.0 110.291 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.998 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -79.31 -36.88 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.529 ' CD ' HD12 ' A' ' 21' ' ' LEU . 8.1 mm-40 -97.8 15.6 23.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.95 22.56 3.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.441 1.088 . . . . 1.0 111.002 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.947 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -91.88 -2.56 56.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 1.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 1.028 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -169.14 160.68 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.431 ' CG ' HG13 ' A' ' 9' ' ' VAL . 4.7 mt-10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.557 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.312 -0.255 . . . . 1.0 110.312 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.92 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -86.93 152.83 22.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 1.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.812 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 40.1 tptt -143.74 110.85 5.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 1.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.707 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.6 mp0 -83.7 143.98 29.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 1.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.943 ' O ' ' O ' ' A' ' 61' ' ' VAL . 24.4 m-85 -149.1 178.99 8.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.874 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -140.03 139.85 36.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 1.0 109.614 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 1.058 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.5 mm -65.82 127.27 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.641 HG11 ' CD2' ' A' ' 7' ' ' HIS . 14.0 m -123.74 8.56 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 1.0 109.269 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.533 ' CB ' ' HA ' ' A' ' 86' ' ' LEU . . . -97.16 -14.83 21.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 56' ' ' GLY . 9.2 pt-20 45.05 16.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 1.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.677 ' OG1' ' NE2' ' A' ' 15' ' ' HIS . 7.7 t -65.39 -57.46 8.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 1.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.789 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 134.39 9.75 1.79 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 1.0 110.955 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.715 HG12 HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER 47.47 64.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 1.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.886 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.8 p80 -98.2 179.2 4.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 1.0 109.603 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.868 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.77 -35.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 1.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.831 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -67.55 -71.44 0.32 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.886 ' HD3' ' CE1' ' A' ' 15' ' ' HIS . 18.2 Cg_endo -75.06 -28.2 9.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 1.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.862 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -61.39 -49.55 76.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 1.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 1.144 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -71.87 -39.71 69.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 110.389 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.607 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.2 tt -39.8 -58.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 1.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -68.01 -64.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 1.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.144 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 4.6 p -46.33 -52.85 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 1.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.794 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.7 pt20 -50.25 -38.18 39.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.735 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.71 -29.95 25.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 1.0 110.39 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.772 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -82.42 -34.22 28.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.755 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.3 t -92.19 49.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 1.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.756 ' CD ' ' CE1' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -155.35 24.05 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.756 ' CE1' ' CD ' ' A' ' 28' ' ' LYS . 22.6 m-85 -121.06 139.02 53.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -70.24 -1.46 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 1.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.443 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 2.3 m -101.14 176.64 5.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 1.0 109.979 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.881 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -92.6 94.93 9.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 1.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 1.055 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -117.75 126.6 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 1.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.667 ' O ' HG13 ' A' ' 63' ' ' ILE . 25.4 m-20 -138.27 176.89 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 1.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.618 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -122.02 138.34 54.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.876 ' O ' ' N ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -121.21 120.86 36.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 1.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.718 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 2.1 t80 -128.14 128.6 45.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 1.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.584 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 14.4 mtmm 73.38 -7.03 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 37' ' ' TYR . . . 121.42 4.0 10.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 1.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.888 ' NZ ' ' O ' ' A' ' 49' ' ' GLY . 2.0 ttpt -103.76 113.85 27.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 1.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.615 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 4.9 p -108.22 114.14 27.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.611 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -144.33 148.78 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.951 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.9 m-80 -43.93 88.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.624 ' C ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -19.15 -38.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 1.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.881 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -64.55 -2.23 2.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 1.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.951 ' N ' ' O ' ' A' ' 43' ' ' ASN . 6.3 t -87.19 73.01 9.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.846 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -39.85 -58.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 109.3 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.541 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -40.15 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 111.034 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.888 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -56.67 -50.16 65.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 1.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -60.83 -49.47 84.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.522 0.778 . . . . 1.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.846 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.2 mmm -40.46 -55.99 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 1.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 p -59.57 -24.18 63.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.718 ' CD2' ' HB3' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -90.81 -90.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 1.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 53.85 116.56 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 1.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.715 HG23 HG12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -102.67 -173.29 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 1.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.789 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 164.26 -96.98 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 1.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.699 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.9 mt-30 -35.97 86.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 1.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.835 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 37.7 17.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 1.0 111.058 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.699 ' N ' ' O ' ' A' ' 57' ' ' GLN . 10.3 m -52.87 172.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 0.771 . . . . 1.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.747 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.2 p30 -133.52 147.5 51.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 1.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.943 ' O ' ' O ' ' A' ' 6' ' ' PHE . 29.8 m -149.66 178.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.876 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -135.37 126.61 28.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 1.0 110.409 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.667 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -98.37 158.26 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 1.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 1.055 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 2.3 m -140.66 145.44 36.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 1.0 110.374 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.753 ' O ' HG11 ' A' ' 65' ' ' VAL . 2.1 p -144.63 125.34 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 1.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.881 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.49 138.97 35.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 1.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.653 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 123.95 -144.21 15.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 1.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.625 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -88.63 -50.73 6.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.663 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -55.48 -32.72 63.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 1.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.673 ' HA ' ' CG2' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -5.57 -70.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 1.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -53.01 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -50.08 -48.38 53.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 1.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.747 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -46.54 -79.66 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 1.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.679 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -55.68 -33.31 64.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 1.0 110.982 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 71' ' ' ALA . . . -45.97 -53.87 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 1.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.633 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -63.7 -57.52 9.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.627 HG21 ' N ' ' A' ' 78' ' ' VAL . 0.3 OUTLIER -47.08 -56.17 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.679 ' CG2' ' O ' ' A' ' 74' ' ' MET . 8.0 t -53.07 -60.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.938 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -54.38 -48.01 72.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 1.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.633 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -60.06 -49.38 77.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 110.41 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.602 ' CD1' ' HB1' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -44.61 -46.8 10.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.546 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.52 -14.0 25.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 1.0 110.348 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.938 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.54 -39.91 23.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 1.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.54 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 9.4 mm-40 -94.62 10.37 35.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 1.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 58.91 8.36 5.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 1.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 1.058 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 2.1 mt -68.69 -35.26 76.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 1.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.874 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -145.55 177.25 9.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 1.0 110.304 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.284 -0.265 . . . . 1.0 110.284 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.735 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.0 132.56 54.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.83 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 41.4 tptt -114.59 111.12 20.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.682 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 5.3 mp0 -82.8 155.58 24.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 1.0 110.352 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.858 ' O ' ' O ' ' A' ' 61' ' ' VAL . 86.2 m-85 -158.07 -177.0 6.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 1.0 110.998 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.945 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -142.01 134.91 28.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.569 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.979 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -62.76 126.84 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 1.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.603 HG13 ' CD2' ' A' ' 7' ' ' HIS . 13.6 m -121.94 4.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 1.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.503 ' CA ' ' O ' ' A' ' 85' ' ' GLY . . . -81.56 -19.18 42.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.2 pt-20 46.01 18.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 1.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.683 HG21 ' HG3' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -81.46 -63.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 1.0 110.43 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.768 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 143.58 20.98 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 1.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.63 ' CD1' ' CD2' ' A' ' 86' ' ' LEU . 0.5 OUTLIER 35.08 72.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 1.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.819 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.5 p80 -98.11 178.02 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 1.0 109.555 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.72 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.07 -34.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.871 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -66.11 -73.02 0.23 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 1.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.871 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.1 Cg_endo -75.06 -30.15 7.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.445 1.761 . . . . 1.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 1.025 ' O ' HG11 ' A' ' 23' ' ' VAL . . . -57.36 -54.57 45.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 1.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.822 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -71.59 -35.57 70.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 1.0 110.433 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.628 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 3.4 tt -39.76 -53.14 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 1.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -72.11 -53.98 11.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 1.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.025 HG11 ' O ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -54.54 -46.74 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 1.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.1 pt20 -56.67 -37.72 71.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.787 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -84.12 -26.1 29.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 1.0 110.432 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.748 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.9 -37.54 20.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 1.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 23' ' ' VAL . 6.3 t -91.86 44.52 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.762 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -147.33 22.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.787 ' CZ ' ' O ' ' A' ' 25' ' ' THR . 22.1 m-85 -116.91 130.84 56.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 1.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -52.33 -16.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 1.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.615 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . 28.7 p -103.92 -176.96 3.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 1.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.702 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -87.18 155.78 19.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 1.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.987 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER 179.86 119.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 1.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.551 ' O ' HG13 ' A' ' 63' ' ' ILE . 24.0 m-20 -134.79 178.36 7.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 1.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.633 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -117.28 147.32 42.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 1.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.93 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -130.16 114.17 15.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 1.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.741 ' CD2' ' CD2' ' A' ' 53' ' ' LEU . 2.4 t80 -117.12 125.5 51.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.679 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 19.6 mtmt 72.39 0.48 3.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 1.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.414 ' HA2' ' CD ' ' A' ' 36' ' ' GLU . . . 115.85 -3.33 21.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 1.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.804 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 14.5 tttt -94.87 108.45 20.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 1.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.619 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 5.6 p -101.98 117.54 35.03 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 1.0 110.021 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.614 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -146.72 149.0 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 1.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 1.013 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.2 m-20 -44.77 87.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.666 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -21.02 -39.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 1.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.802 ' N ' ' O ' ' A' ' 43' ' ' ASN . 4.9 tttp -71.32 6.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 1.013 ' N ' ' O ' ' A' ' 43' ' ' ASN . 8.4 t -90.24 83.97 6.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 1.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.838 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -39.91 -70.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.61 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -46.09 -58.74 3.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 1.0 110.99 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.802 ' O ' ' CE ' ' A' ' 40' ' ' LYS . . . -59.76 -10.57 13.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 1.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -110.48 -43.08 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 1.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.838 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.7 tpp -46.5 -47.24 19.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 1.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.466 ' OG ' ' NZ ' ' A' ' 40' ' ' LYS . 5.3 p -69.73 -27.07 64.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 1.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.741 ' CD2' ' CD2' ' A' ' 37' ' ' TYR . 1.2 mt -94.05 -89.59 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.532 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 58.27 141.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 1.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.603 HG13 ' CG ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -127.37 -172.42 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 1.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.768 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 159.28 -87.72 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 1.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.642 ' CG ' ' O ' ' A' ' 57' ' ' GLN . 4.9 pt20 -43.92 82.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 1.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.895 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 43.77 12.11 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 1.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.704 ' O ' ' N ' ' A' ' 8' ' ' ILE . 7.8 m -52.9 136.5 34.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 1.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.834 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 7.4 p-10 -98.99 145.58 26.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.858 ' O ' ' O ' ' A' ' 6' ' ' PHE . 28.1 m -146.38 175.53 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 1.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.93 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -130.58 137.83 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 1.0 110.394 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.575 HG12 HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -109.94 150.66 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 109.326 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.987 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -132.66 144.27 50.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.412 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.684 ' CG2' ' HA ' ' A' ' 70' ' ' GLU . 4.4 p -139.97 128.81 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 1.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.702 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -144.67 122.05 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 1.0 109.334 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.615 ' HA3' ' CB ' ' A' ' 31' ' ' SER . . . 140.96 -163.96 26.53 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.544 1.153 . . . . 1.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.1 -51.83 28.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 1.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.652 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -62.37 -22.39 66.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.162 . . . . 1.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.684 ' HA ' ' CG2' ' A' ' 65' ' ' VAL . 2.8 pp20? -14.28 -58.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 1.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.586 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -60.65 -72.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 1.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -52.1 -46.32 65.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 1.0 110.318 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.726 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -46.75 -77.1 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 1.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.668 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -55.05 -37.06 66.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 1.0 110.971 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.21 -54.24 7.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 1.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.57 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -60.33 -59.48 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.575 HG22 HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -45.54 -56.3 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 1.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.624 ' CG2' ' O ' ' A' ' 74' ' ' MET . 6.5 t -51.87 -60.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 1.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.931 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -54.56 -46.31 73.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.57 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -61.77 -43.5 98.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 1.0 110.362 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.2 -47.33 35.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.568 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -94.15 -14.52 25.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 1.0 110.271 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.931 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -82.42 -42.87 18.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 1.0 109.252 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.562 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 3.1 mm-40 -92.75 14.24 17.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.503 ' O ' ' CA ' ' A' ' 10' ' ' ALA . . . 50.95 29.74 20.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 1.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.979 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 6.0 mt -93.27 -17.86 23.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 1.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.945 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -162.56 158.75 23.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 1.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 1.0 110.293 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.331 -0.248 . . . . 1.0 110.331 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.837 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.47 159.62 25.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.813 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 49.4 tptt -144.87 115.65 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 1.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.642 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.9 mp0 -86.93 155.66 20.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.843 ' O ' ' O ' ' A' ' 61' ' ' VAL . 45.9 m-85 -154.52 -177.24 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 1.071 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -148.56 135.13 19.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 1.0 109.638 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 1.108 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.6 mm -62.84 124.35 17.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 1.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.646 HG11 ' CD2' ' A' ' 7' ' ' HIS . 16.2 m -122.57 1.68 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.511 ' CB ' ' HA ' ' A' ' 86' ' ' LEU . . . -84.92 -11.93 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.8 pt-20 45.71 16.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 110.346 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.575 ' CG2' ' NE2' ' A' ' 15' ' ' HIS . 0.8 OUTLIER -68.96 -77.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 1.0 110.425 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.75 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 158.16 2.8 0.08 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.508 1.13 . . . . 1.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.681 ' CD1' ' N ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER 50.95 67.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.548 0.793 . . . . 1.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.848 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.2 p80 -99.33 -179.56 4.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 1.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.812 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.44 -36.11 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 1.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.862 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.92 -72.49 0.27 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 110.318 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.862 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -75.02 -29.84 7.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 1.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.88 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -58.35 -52.67 64.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 1.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.826 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -71.79 -35.93 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 1.0 110.382 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.647 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.9 tt -39.92 -52.01 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -72.99 -51.82 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.88 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.98 -45.42 83.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 1.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.826 ' N ' ' O ' ' A' ' 20' ' ' THR . 4.5 pt20 -56.9 -39.43 74.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 1.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.811 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -85.45 -29.75 24.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 110.44 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.801 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -85.81 -30.7 22.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.815 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -93.32 39.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 109.984 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.796 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -145.56 24.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 1.0 109.31 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.811 ' CE2' ' O ' ' A' ' 25' ' ' THR . 22.1 m-85 -122.02 134.61 54.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -63.67 -4.52 3.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 1.0 109.268 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.605 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 1.1 m -94.41 176.69 6.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.699 ' N ' ' O ' ' A' ' 66' ' ' ASP . 98.1 m-20 -97.35 78.52 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 1.086 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -99.64 128.37 51.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 109.252 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.533 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 26.6 m-20 -140.04 175.48 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 1.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.604 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -118.63 140.5 49.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.927 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -124.85 113.1 17.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 1.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.725 ' CZ ' HG12 ' A' ' 55' ' ' VAL . 1.2 t80 -115.45 122.54 46.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 1.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.719 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 1.6 mtmm 72.76 0.67 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.45 -0.54 18.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 1.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.927 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -95.72 106.11 18.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 1.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.653 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 1.7 p -102.09 113.37 26.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 1.0 109.95 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 44' ' ' LEU . 4.7 m -144.56 144.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 1.001 ' O ' ' N ' ' A' ' 46' ' ' SER . 5.0 m-20 -40.62 86.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.673 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -16.49 -41.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.882 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -66.98 2.42 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 1.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 1.001 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.9 t -88.25 68.93 9.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.842 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -40.06 -52.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 1.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.481 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 14.5 ttp -40.67 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 1.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.581 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -55.82 -48.15 74.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.137 . . . . 1.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.1 t -60.24 -51.21 75.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 1.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.842 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -41.84 -53.24 3.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 1.0 111.019 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.1 p -59.84 -24.11 63.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 1.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.716 ' CD2' ' CD2' ' A' ' 37' ' ' TYR . 2.0 mt -95.08 -89.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 1.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.82 121.71 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.467 1.105 . . . . 1.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.725 HG12 ' CZ ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -107.84 -174.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 1.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.75 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 157.98 -87.84 0.12 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 1.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.634 ' O ' ' N ' ' A' ' 59' ' ' SER . 12.7 mt-30 -43.36 84.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.886 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 43.08 11.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.567 1.167 . . . . 1.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.692 ' O ' ' N ' ' A' ' 8' ' ' ILE . 2.2 m -47.87 165.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 1.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.8 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 7.8 p-10 -130.38 146.37 51.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 1.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.843 ' O ' ' O ' ' A' ' 6' ' ' PHE . 35.3 m -148.31 173.16 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 1.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.839 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.62 133.76 47.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 110.367 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.649 HG12 HG21 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -104.6 151.92 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 1.086 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.8 m -139.13 152.18 47.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 1.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.793 HG12 ' O ' ' A' ' 65' ' ' VAL . 10.0 p -144.78 107.81 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 1.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.699 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -124.81 114.3 19.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.657 ' O ' ' CG ' ' A' ' 70' ' ' GLU . . . 152.1 -131.78 3.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.478 1.111 . . . . 1.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.605 ' N ' ' HG ' ' A' ' 31' ' ' SER . . . -97.09 -66.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 1.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.658 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -39.03 -28.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.104 . . . . 1.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 1.168 ' O ' ' HG3' ' A' ' 74' ' ' MET . 4.4 mt-10 9.92 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.0 110.348 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -54.77 -74.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 1.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -38.97 -53.37 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.758 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -48.08 -80.01 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 1.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 1.168 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 2.2 ppp? -51.7 -39.62 58.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 1.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.62 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -42.46 -65.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.54 ' HB3' HG22 ' A' ' 25' ' ' THR . . . -49.42 -59.16 3.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 1.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.649 HG21 HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -45.73 -56.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 1.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.639 ' CG2' ' O ' ' A' ' 74' ' ' MET . 5.7 t -49.97 -60.79 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.993 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.25 -42.6 66.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 1.0 110.273 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.467 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -65.86 -51.47 58.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 1.0 110.41 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.683 HD11 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -43.55 -42.65 5.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 1.0 109.353 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -95.41 -16.93 21.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 1.0 110.285 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.993 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -80.63 -40.61 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 1.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.494 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 12.7 mm-40 -89.61 7.96 33.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 1.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 54.26 13.27 3.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.517 1.135 . . . . 1.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 1.108 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 2.7 tt -83.17 -6.84 59.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 1.071 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -161.17 158.17 27.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 1.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 1.0 110.288 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' VAL . 6.1 mt-10 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.301 -0.259 . . . . 1.0 110.301 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.749 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -134.46 144.41 48.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.0 109.307 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.831 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 43.1 tptt -127.51 111.39 13.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 1.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.741 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 2.1 mp0 -80.87 161.36 24.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 1.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.831 ' CZ ' ' CG ' ' A' ' 4' ' ' LYS . 88.9 m-85 -164.51 -174.71 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 1.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.863 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -147.08 141.45 26.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.17 . . . . 1.0 109.597 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.975 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -70.11 128.26 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.596 HG13 ' CD2' ' A' ' 7' ' ' HIS . 16.1 m -121.8 4.53 6.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 1.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -87.17 -19.21 28.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 1.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.6 pt-20 45.77 17.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 110.247 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.666 HG22 ' HG3' ' A' ' 18' ' ' PRO . 3.9 t -75.59 -57.19 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 1.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.767 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 136.53 18.41 0.71 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 1.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.654 ' CD1' ' CD2' ' A' ' 86' ' ' LEU . 0.5 OUTLIER 40.58 73.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 1.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.841 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.3 p80 -97.29 176.2 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 1.0 109.628 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.76 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.41 -35.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.868 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.52 -72.79 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.868 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.01 -30.34 7.24 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 1.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.969 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -57.53 -53.95 52.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 1.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.834 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -72.53 -33.31 66.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 1.0 110.392 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.648 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -42.34 -51.21 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 1.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -73.12 -51.56 17.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 1.0 109.317 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.969 HG12 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -57.61 -45.42 86.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 1.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.834 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.0 pt20 -56.94 -40.0 75.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 1.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.816 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -83.93 -24.28 30.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 1.0 110.431 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.75 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -87.52 -33.51 18.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 1.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.732 ' N ' ' O ' ' A' ' 23' ' ' VAL . 5.5 t -93.43 39.18 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 109.972 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.76 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -143.96 25.41 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 1.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.816 ' CZ ' ' O ' ' A' ' 25' ' ' THR . 22.2 m-85 -118.27 128.2 54.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 1.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -54.01 -14.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 1.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.606 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . 66.5 p -104.81 -175.46 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.591 ' O ' ' HA ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -86.44 154.36 21.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 1.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 1.123 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -179.05 116.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 1.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.641 ' O ' HG13 ' A' ' 63' ' ' ILE . 39.1 m-20 -134.7 178.52 6.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 1.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.607 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -118.77 143.12 47.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 1.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.938 ' N ' ' O ' ' A' ' 62' ' ' THR . 54.2 tt0 -128.51 111.56 13.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 1.0 110.232 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.748 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 1.9 t80 -116.83 120.69 39.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 1.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.728 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 3.5 mtmt 70.63 1.56 3.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 1.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.59 -14.93 9.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 1.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.843 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -79.55 102.75 9.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 0.756 . . . . 1.0 109.273 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.567 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 5.4 t -108.22 110.72 22.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.611 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -147.65 154.9 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 1.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 1.031 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -46.16 86.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 1.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.674 ' N ' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -18.39 -38.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.879 ' N ' ' O ' ' A' ' 43' ' ' ASN . 8.1 tmtt? -74.33 8.73 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 1.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 1.031 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.3 OUTLIER -89.7 80.84 6.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 110.007 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.876 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -40.14 -62.11 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.615 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -40.0 -71.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 110.965 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.506 ' O ' ' HB2' ' A' ' 53' ' ' LEU . . . -54.17 -50.91 53.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 1.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' A' ' 53' ' ' LEU . 2.4 t -61.79 -51.31 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 1.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.876 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.1 mmm -36.42 -62.92 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 1.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.4 p -67.07 -21.82 65.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 109.962 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.748 ' CD1' ' HB3' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -92.75 -97.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 1.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.495 ' H ' ' HB3' ' A' ' 53' ' ' LEU . . . 57.13 159.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 1.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.662 HG11 ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -135.92 -169.7 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 1.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.767 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 163.71 -100.75 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 1.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.746 ' O ' ' N ' ' A' ' 59' ' ' SER . 4.8 pt20 -36.72 90.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 1.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.828 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 36.31 17.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.496 1.122 . . . . 1.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.746 ' N ' ' O ' ' A' ' 57' ' ' GLN . 5.8 m -56.51 132.85 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 0.782 . . . . 1.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.83 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 3.5 p-10 -96.96 145.86 25.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.812 ' O ' ' O ' ' A' ' 6' ' ' PHE . 26.2 m -146.96 177.74 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.938 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -133.26 132.66 41.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.641 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -104.54 157.47 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 1.123 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.1 m -136.62 140.95 43.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 70' ' ' GLU . 4.9 p -140.54 125.04 18.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 1.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -146.39 124.09 11.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.716 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 143.59 -149.7 21.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.443 1.09 . . . . 1.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.515 ' N ' ' HB3' ' A' ' 31' ' ' SER . . . -81.34 -48.66 11.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 1.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.689 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -63.13 -25.64 68.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 1.067 ' O ' ' HG3' ' A' ' 74' ' ' MET . 0.4 OUTLIER -4.93 -71.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 110.33 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -56.38 -75.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -45.35 -48.67 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 1.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.693 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -46.42 -80.51 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 1.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 1.067 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 2.2 ppp? -50.27 -42.62 52.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 1.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.601 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -40.29 -57.98 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.518 ' HB3' ' CG2' ' A' ' 25' ' ' THR . . . -56.8 -60.77 3.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 1.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -44.6 -59.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 1.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.636 HG21 ' O ' ' A' ' 74' ' ' MET . 4.2 t -49.78 -60.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.928 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -53.58 -49.65 67.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 1.0 110.243 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.562 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -59.1 -44.37 91.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 1.0 110.397 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.607 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -47.47 -49.72 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 1.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.624 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -92.57 -13.97 28.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.928 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -80.76 -39.48 26.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 80' ' ' THR . 5.4 mm-40 -95.98 12.9 28.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.508 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 56.9 13.5 8.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 1.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.975 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 3.0 mt -73.15 -42.12 63.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.863 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -142.02 163.7 32.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 1.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.561 ' O ' HG13 ' A' ' 65' ' ' VAL . 5.4 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.313 -0.254 . . . . 1.0 110.313 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.81 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -111.67 150.46 30.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 1.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.808 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 37.0 tptt -141.38 113.97 8.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 1.0 109.237 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.672 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.2 mp0 -84.43 154.33 22.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.954 ' O ' ' O ' ' A' ' 61' ' ' VAL . 66.1 m-85 -160.04 -177.69 6.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 1.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 1.005 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -143.41 138.33 29.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 1.0 109.566 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.825 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.7 mm -64.69 121.88 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.582 HG11 ' CD2' ' A' ' 7' ' ' HIS . 15.4 m -116.56 4.02 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 1.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -81.43 -19.16 43.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 1.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 13.8 pt-20 45.48 18.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 1.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.783 HG23 ' HG3' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -80.63 -63.69 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.0 110.37 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.795 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 142.77 21.25 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 1.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.66 ' CD1' ' CD2' ' A' ' 86' ' ' LEU . 0.5 OUTLIER 35.94 71.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 1.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.82 ' O ' ' N ' ' A' ' 19' ' ' ALA . 2.6 p80 -98.1 178.94 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 1.0 109.601 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.904 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.15 -34.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 1.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.865 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -67.22 -73.01 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 1.0 110.335 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.865 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -75.04 -27.49 9.91 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.494 1.786 . . . . 1.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.82 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -60.77 -48.83 80.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 1.15 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.31 -39.75 65.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 1.0 110.395 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.605 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -40.17 -57.18 1.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -67.82 -65.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.15 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 3.0 p -45.67 -53.17 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 1.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.759 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -50.76 -37.62 43.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.334 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.774 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -84.05 -25.66 29.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 110.416 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.684 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -85.71 -36.19 20.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.699 ' N ' ' O ' ' A' ' 23' ' ' VAL . 8.8 p -93.51 45.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 110.045 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.754 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -147.98 23.94 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.774 ' CZ ' ' O ' ' A' ' 25' ' ' THR . 22.4 m-85 -117.62 135.92 53.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -59.24 -12.08 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.681 ' HB2' ' HA3' ' A' ' 67' ' ' GLY . 89.7 p -108.23 -176.16 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 1.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.803 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -87.76 154.91 20.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 1.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 1.001 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -176.97 115.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.696 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -128.91 179.16 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 1.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.613 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -119.83 142.0 49.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.838 ' O ' ' N ' ' A' ' 62' ' ' THR . 11.0 tm-20 -123.02 113.11 18.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 1.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.809 ' O ' ' N ' ' A' ' 39' ' ' GLY . 5.8 t80 -111.07 171.06 7.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 1.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.608 ' N ' ' CG ' ' A' ' 37' ' ' TYR . 19.4 mtpt -57.19 55.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 1.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.809 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -166.31 -43.23 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 1.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.566 ' NZ ' ' HB2' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 172.25 -176.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 1.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.593 ' HB3' ' CG ' ' A' ' 36' ' ' GLU . 10.1 p -129.42 124.27 33.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 1.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.772 ' O ' ' N ' ' A' ' 44' ' ' LEU . 4.5 m -145.94 152.12 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 1.196 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.2 m120 -47.61 75.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 1.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.772 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -0.12 -45.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 1.0 109.293 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 1.196 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -68.57 2.97 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.844 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.3 t -87.27 83.31 7.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 1.0 109.972 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.824 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -40.2 -58.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 1.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.577 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -39.88 -74.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 110.976 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.505 ' HA3' HG22 ' A' ' 42' ' ' VAL . . . -54.28 -43.91 75.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.577 ' HB ' ' O ' ' A' ' 46' ' ' SER . 1.2 t -63.02 -49.76 82.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 0.76 . . . . 1.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.824 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -42.06 -59.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.24 -11.43 60.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 1.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.644 ' CD1' ' HB3' ' A' ' 37' ' ' TYR . 5.0 tt -92.2 -94.94 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 1.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.547 ' N ' ' CD2' ' A' ' 53' ' ' LEU . . . 58.42 127.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 1.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.702 ' CG1' ' CD1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -125.4 -175.22 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 1.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.795 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 157.86 -83.9 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 1.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.662 ' CG ' ' O ' ' A' ' 57' ' ' GLN . 5.2 pt20 -46.36 81.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 1.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.961 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 46.08 9.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 1.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.659 ' O ' ' N ' ' A' ' 8' ' ' ILE . 5.7 m -49.2 132.21 19.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 1.0 110.016 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.8 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 13.6 p-10 -96.43 147.76 23.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.954 ' O ' ' O ' ' A' ' 6' ' ' PHE . 34.9 m -149.71 174.02 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 1.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.838 ' N ' ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -132.49 123.13 26.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 1.0 110.358 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.583 HG12 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -95.37 144.13 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 1.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 1.001 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.7 m -130.0 140.23 50.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.795 HG13 ' O ' ' A' ' 65' ' ' VAL . 6.6 p -130.29 112.11 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 1.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.803 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -121.09 123.92 43.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.681 ' HA3' ' HB2' ' A' ' 31' ' ' SER . . . 130.53 -163.96 23.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 1.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -66.02 -65.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 1.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.688 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -39.36 -29.65 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.688 ' C ' ' O ' ' A' ' 69' ' ' ASP . 8.3 mt-10 -3.0 -73.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 1.0 110.335 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -55.69 -72.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 1.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -47.86 -49.95 27.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 1.0 110.286 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.721 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -46.24 -79.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.151 . . . . 1.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.684 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -55.16 -32.53 62.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 1.0 111.012 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.48 ' N ' ' HE2' ' A' ' 74' ' ' MET . . . -47.12 -54.95 9.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 1.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.601 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -62.85 -59.07 5.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.652 HG22 ' N ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -46.91 -55.33 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 1.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.684 ' CG2' ' O ' ' A' ' 74' ' ' MET . 21.8 t -53.43 -60.84 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.932 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.34 -45.55 69.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.601 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -62.67 -48.99 76.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 1.0 110.401 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.629 HD13 ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -45.0 -43.55 9.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.359 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -96.01 -17.06 21.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 1.0 110.334 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.932 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.4 -39.69 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 4.8 mm-40 -97.31 20.16 11.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 1.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 44.78 26.17 1.07 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.149 . . . . 1.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.825 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 5.5 mt -90.18 -7.3 53.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 0.761 . . . . 1.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 1.005 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -170.01 159.13 7.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 1.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 1.0 110.292 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 65' ' ' VAL . 23.7 mt-10 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.284 -0.265 . . . . 1.0 110.284 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.813 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.9 157.75 30.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.83 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 49.9 tptt -139.03 114.68 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.669 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 0.5 OUTLIER -87.28 150.47 23.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 110.267 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.851 ' O ' ' O ' ' A' ' 61' ' ' VAL . 54.1 m-85 -148.85 -175.65 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 1.06 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -151.97 137.67 17.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 109.624 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.96 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.8 mm -65.65 125.01 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.655 HG13 ' CD2' ' A' ' 7' ' ' HIS . 15.8 m -123.24 14.36 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -102.32 -17.25 15.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.488 ' HA ' ' O ' ' A' ' 56' ' ' GLY . 8.7 pt-20 47.21 17.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 1.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.673 HG21 ' N ' ' A' ' 13' ' ' GLY . 1.3 t -71.31 -61.36 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 1.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.719 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 134.57 34.77 0.27 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 1.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.594 HG12 HG21 ' A' ' 55' ' ' VAL . 0.8 OUTLIER 29.96 75.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 1.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.866 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 2.5 p80 -98.42 172.95 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 1.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.867 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.15 -32.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 1.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.91 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -64.1 -76.12 0.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 1.0 110.304 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.91 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -75.06 -26.7 10.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 1.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.753 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -61.15 -49.33 77.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 1.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 1.069 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.34 -41.48 63.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 1.0 110.359 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.67 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 3.4 tt -39.92 -54.78 2.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -68.42 -65.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 1.0 109.339 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.069 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 2.6 p -46.84 -51.95 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 1.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.784 ' N ' ' O ' ' A' ' 20' ' ' THR . 2.7 pt20 -51.24 -38.03 50.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.781 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -86.42 -34.69 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 1.0 110.462 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.755 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -79.46 -29.42 41.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 1.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.795 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -97.5 47.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 1.0 109.974 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.765 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -154.56 23.9 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 1.0 109.248 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.781 ' CE2' ' O ' ' A' ' 25' ' ' THR . 22.7 m-85 -120.15 135.11 55.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -66.11 -5.27 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 1.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.654 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -94.83 178.24 5.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 1.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.871 ' N ' ' O ' ' A' ' 66' ' ' ASP . 63.7 m-20 -96.53 88.02 4.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 1.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 1.055 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -110.27 127.08 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.592 ' O ' HG13 ' A' ' 63' ' ' ILE . 27.6 m-20 -140.48 176.29 8.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 1.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.605 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.92 145.15 45.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 1.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 1.077 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -130.51 112.44 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 1.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.843 ' CD2' ' CD2' ' A' ' 53' ' ' LEU . 1.1 t80 -113.68 124.71 52.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 1.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.692 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER 61.76 16.57 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 103.43 11.49 33.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.092 . . . . 1.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 1.077 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -100.9 96.07 7.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 0.749 . . . . 1.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 3.7 p -97.99 107.33 19.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.0 109.948 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.634 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -145.96 143.25 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.981 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.3 m120 -41.36 88.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 1.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.64 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -18.39 -39.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.875 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -66.16 0.95 1.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 1.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.981 ' N ' ' O ' ' A' ' 43' ' ' ASN . 8.3 t -86.95 67.44 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.762 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.3 tp -39.81 -44.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 1.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.411 ' N ' HG21 ' A' ' 47' ' ' ILE . 13.3 ttp -47.12 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 1.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -53.06 -42.69 61.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 1.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.566 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.1 t -63.06 -57.45 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 1.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.762 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -38.14 -58.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 110.985 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.4 p -55.36 -30.47 60.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 1.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.863 HD13 ' CB ' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -94.82 -88.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 1.0 109.259 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 50' ' ' VAL . . . 60.1 133.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 1.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.711 HG11 ' CZ ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -111.12 -175.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 1.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.719 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 162.84 -89.32 0.11 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 1.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.767 ' O ' ' N ' ' A' ' 59' ' ' SER . 7.0 pt20 -43.23 90.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 0.816 . . . . 1.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.799 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 35.94 16.58 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 1.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.767 ' N ' ' O ' ' A' ' 57' ' ' GLN . 11.7 m -53.84 172.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 1.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.758 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 17.7 p-10 -133.5 146.65 51.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 1.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.851 ' O ' ' O ' ' A' ' 6' ' ' PHE . 27.5 m -148.1 176.79 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 1.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.95 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -136.14 135.7 39.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 1.0 110.42 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.592 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -106.97 156.4 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 1.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 1.055 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -137.4 149.58 47.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 1.0 110.415 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.724 HG13 ' HG2' ' A' ' 74' ' ' MET . 0.3 OUTLIER -142.32 118.08 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 1.0 109.258 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.871 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -139.07 121.11 15.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.59 ' O ' ' CG ' ' A' ' 70' ' ' GLU . . . 142.68 -133.32 5.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 1.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.654 ' N ' ' HG ' ' A' ' 31' ' ' SER . . . -94.5 -60.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 1.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -42.58 -47.67 5.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.598 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 0.0 OUTLIER 21.06 -86.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 1.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.626 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -51.5 -68.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -50.37 -48.7 55.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 1.0 110.312 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.731 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -48.17 -79.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.724 ' HG2' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -56.39 -32.31 64.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 1.0 110.975 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.586 ' CB ' ' O ' ' A' ' 71' ' ' ALA . . . -46.82 -55.18 8.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.566 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -61.39 -54.38 44.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 1.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.544 ' O ' HD21 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -47.93 -58.23 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.605 ' CG2' ' O ' ' A' ' 74' ' ' MET . 10.7 t -48.87 -60.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 1.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.979 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.75 -38.39 64.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 1.0 110.321 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.678 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -69.57 -57.21 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 1.0 110.382 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.636 ' CD1' ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -38.02 -42.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.583 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -95.65 -18.65 20.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 1.0 110.27 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.979 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -72.7 -32.32 65.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 1.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.584 ' HG3' ' O ' ' A' ' 80' ' ' THR . 0.0 OUTLIER -104.52 16.62 25.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.444 ' O ' ' HB1' ' A' ' 10' ' ' ALA . . . 47.56 19.09 0.72 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 1.0 111.009 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.96 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 1.4 tp -91.04 1.1 57.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 1.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 1.06 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -174.16 156.12 2.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 1.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 1.0 110.345 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 65' ' ' VAL . 18.4 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.301 -0.259 . . . . 1.0 110.301 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.746 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -123.58 145.6 48.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.802 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 35.8 tptt -124.94 110.82 14.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 1.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.711 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 3.3 mp0 -84.34 143.13 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.993 ' O ' ' O ' ' A' ' 61' ' ' VAL . 23.4 m-85 -146.52 178.14 8.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 1.0 111.046 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 1.06 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -139.94 135.39 32.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 1.0 109.571 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.704 ' N ' ' O ' ' A' ' 59' ' ' SER . 3.5 mm -62.92 125.95 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 1.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.626 HG12 ' CD2' ' A' ' 7' ' ' HIS . 13.1 m -122.86 4.87 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -88.96 -15.29 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 1.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 12.9 pt-20 44.72 17.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 110.261 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.567 ' OG1' ' NE2' ' A' ' 15' ' ' HIS . 6.5 t -70.78 -56.85 5.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 1.0 110.393 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.829 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 132.87 18.6 1.08 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 1.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.603 ' HB ' ' O ' ' A' ' 55' ' ' VAL . 0.4 OUTLIER 37.08 65.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 1.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.941 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.3 p80 -95.5 179.08 5.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.617 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.837 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -41.16 -33.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 1.011 ' HB2' ' HD3' ' A' ' 18' ' ' PRO . 4.1 mmm180 -69.58 -70.39 0.35 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 1.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 1.011 ' HD3' ' HB2' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -74.99 -27.69 9.82 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 1.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.856 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -61.16 -49.54 76.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 1.141 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -71.71 -39.92 69.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 1.0 110.387 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.597 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.1 tt -39.86 -58.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 1.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.537 ' CD2' ' O ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -67.75 -65.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.141 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 4.6 p -45.81 -53.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.779 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.0 OUTLIER -49.78 -38.19 33.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 110.299 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.847 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.93 -26.6 27.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 1.0 110.408 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.747 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -86.96 -34.34 19.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 1.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.8 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -91.92 43.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 1.0 110.015 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.859 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.28 21.11 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 1.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.859 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 21.3 m-85 -117.24 142.84 46.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -72.62 -1.28 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 1.0 109.216 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.621 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -100.25 178.12 4.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 1.0 110.036 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.808 ' N ' ' O ' ' A' ' 66' ' ' ASP . 16.3 m-20 -96.12 88.47 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 1.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 1.031 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -110.69 128.28 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 1.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.569 ' O ' HG13 ' A' ' 63' ' ' ILE . 20.0 m-20 -138.39 176.56 8.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 1.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.632 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -120.46 139.58 52.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 1.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.914 ' O ' ' N ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -125.22 120.29 30.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 1.0 110.275 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.74 ' CD2' ' CD2' ' A' ' 53' ' ' LEU . 2.4 t80 -123.7 125.13 44.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 1.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.638 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 13.7 mtpt 73.71 -2.24 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 118.66 -1.33 15.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 1.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.83 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 13.6 tttt -97.26 108.84 21.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 1.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.646 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 2.9 t -103.58 118.78 37.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 1.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.629 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -146.34 142.78 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 1.0 109.221 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.968 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.6 m120 -42.64 87.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 1.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.633 ' C ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -18.73 -37.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 109.286 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.911 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -65.91 -2.37 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 1.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.968 ' N ' ' O ' ' A' ' 43' ' ' ASN . 30.3 t -87.09 68.87 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.795 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.3 tp -39.95 -55.06 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 1.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.534 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 8.8 ttp -40.0 -73.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 1.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.746 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -56.74 -51.85 54.33 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.442 1.089 . . . . 1.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -55.82 -51.8 55.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 1.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.795 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -42.28 -52.32 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 1.0 111.034 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -25.61 68.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 1.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.74 ' CD2' ' CD2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -92.36 -86.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 1.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.652 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 55.35 146.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 1.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.643 HG11 ' CG ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -127.9 -171.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 1.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.829 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 160.23 -94.89 0.13 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.14 . . . . 1.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.658 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.7 mt-30 -39.45 85.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 1.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.873 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 41.72 12.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 1.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.704 ' O ' ' N ' ' A' ' 8' ' ' ILE . 5.1 m -54.24 138.58 38.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 1.0 109.985 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.76 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 6.9 p-10 -100.85 148.48 24.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 1.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.993 ' O ' ' O ' ' A' ' 6' ' ' PHE . 30.8 m -148.3 -178.6 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 1.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.914 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -137.28 131.56 32.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 110.399 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.612 ' O ' ' N ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -102.77 152.76 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 1.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 1.031 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 m -135.68 148.51 48.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 1.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.628 ' CG1' ' HG2' ' A' ' 74' ' ' MET . 4.5 p -146.96 120.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 1.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.808 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.59 120.71 13.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.552 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 146.54 -143.96 12.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 1.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.621 ' N ' ' HG ' ' A' ' 31' ' ' SER . . . -88.9 -48.42 7.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 0.745 . . . . 1.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.655 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -55.04 -37.33 66.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 1.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.655 ' C ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER 11.58 -88.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 110.349 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.621 ' O ' ' CB ' ' A' ' 75' ' ' ALA . . . -48.62 -70.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 1.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 69' ' ' ASP . 2.1 tp10 -45.67 -52.07 11.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 1.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.763 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -50.29 -80.24 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.156 . . . . 1.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.669 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -52.72 -33.97 50.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 0.729 . . . . 1.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 71' ' ' ALA . . . -45.75 -58.79 3.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 1.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.589 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -57.49 -57.15 13.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 1.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.632 ' O ' HD22 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -48.19 -56.41 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.669 ' CG2' ' O ' ' A' ' 74' ' ' MET . 14.1 t -51.14 -60.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.895 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -54.18 -48.15 71.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 1.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.589 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -60.32 -52.21 66.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 1.0 110.379 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.632 HD22 ' O ' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -42.6 -44.04 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 109.357 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.511 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -95.61 -18.99 20.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 1.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.895 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -79.34 -43.21 23.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.556 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 6.3 mm-40 -91.74 13.19 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 1.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.561 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 53.12 16.13 4.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.423 1.077 . . . . 1.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.652 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 7.5 mt -83.68 3.57 32.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 1.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 1.06 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -177.34 160.81 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 1.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 1.0 110.297 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 65' ' ' VAL . 40.6 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.285 -0.265 . . . . 1.0 110.285 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.771 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -122.48 160.54 25.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 1.0 109.303 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.796 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.0 tptt -142.54 113.73 7.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 1.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.634 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 2.4 mp0 -90.04 151.32 21.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 1.0 110.34 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.988 ' O ' ' O ' ' A' ' 61' ' ' VAL . 44.5 m-85 -149.05 -177.8 6.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 1.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.948 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -144.47 137.85 27.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 1.0 109.596 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 1.186 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.2 mm -62.05 125.43 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 1.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.631 HG12 ' CD2' ' A' ' 7' ' ' HIS . 15.8 m -125.83 2.19 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 1.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.632 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -84.17 -18.2 37.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 12.2 pt-20 47.0 14.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.639 ' CG2' ' N ' ' A' ' 13' ' ' GLY . 1.3 t -74.84 -60.05 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 1.0 110.449 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.728 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 140.04 17.94 0.45 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 1.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.668 ' CD1' ' N ' ' A' ' 14' ' ' ILE . 0.3 OUTLIER 46.91 74.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 1.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.878 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 2.4 p80 -100.93 172.12 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.633 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.923 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.0 -32.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.924 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -62.52 -76.43 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 1.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.924 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -75.0 -27.53 9.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 1.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.712 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -63.66 -48.76 75.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 1.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 1.093 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -74.3 -40.15 62.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 1.0 110.397 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.674 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 3.2 tt -40.98 -53.14 3.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 1.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -69.68 -65.35 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 1.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.093 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 3.0 p -47.44 -50.71 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 1.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.777 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -52.44 -38.91 60.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 1.0 110.296 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.734 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -83.79 -33.46 24.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 1.0 110.37 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.766 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -79.39 -33.27 42.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.763 ' N ' ' O ' ' A' ' 23' ' ' VAL . 25.7 p -91.9 49.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 110.024 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.746 ' CD ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -157.99 24.49 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 1.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.746 ' CE1' ' CD ' ' A' ' 28' ' ' LYS . 22.6 m-85 -120.85 136.17 54.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -67.51 -4.3 11.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 1.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.603 ' HG ' ' N ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -93.17 178.0 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 1.0 110.016 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.815 ' N ' ' O ' ' A' ' 66' ' ' ASP . 22.5 m-20 -95.3 76.66 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 1.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 1.036 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -100.21 128.19 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 1.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.672 ' O ' HG13 ' A' ' 63' ' ' ILE . 27.9 m-20 -136.74 175.72 9.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 1.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.753 ' CD1' ' CD1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -121.09 144.89 48.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 1.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 1.013 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -126.48 98.18 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 110.322 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.857 ' CD1' ' CG1' ' A' ' 61' ' ' VAL . 5.9 m-30 -104.88 145.29 30.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.568 ' HG3' ' CD2' ' A' ' 53' ' ' LEU . 17.3 mtmt 50.85 20.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 1.0 109.322 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 37' ' ' TYR . . . 87.61 37.31 8.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 1.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 1.013 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -135.86 109.4 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 1.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.631 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 1.1 p -95.58 114.69 26.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.0 109.991 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.663 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -145.88 142.73 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 1.0 109.326 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.95 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.3 m120 -40.06 86.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.705 ' HG ' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -19.72 -39.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 1.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.831 ' N ' ' O ' ' A' ' 43' ' ' ASN . 5.6 ttmt -62.46 -3.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.95 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.4 t -87.4 61.77 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 1.0 110.054 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.837 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.4 tp -40.07 -49.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 1.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.463 ' HE2' ' N ' ' A' ' 49' ' ' GLY . 9.4 ttp -41.38 -75.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.463 ' N ' ' HE2' ' A' ' 48' ' ' MET . . . -53.2 -45.91 63.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 1.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.559 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.1 t -62.97 -49.88 81.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.837 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -41.04 -58.68 1.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 1.0 111.025 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 p -62.08 -17.72 58.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.615 HD13 ' CD ' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -93.14 -91.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 1.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 56.36 150.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.573 1.17 . . . . 1.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.776 HG21 ' CD2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -134.36 -174.85 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 1.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.882 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . 170.33 -80.35 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 1.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.693 ' C ' ' H ' ' A' ' 59' ' ' SER . 4.4 pt20 -40.0 72.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 1.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.948 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 45.89 5.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.14 . . . . 1.0 111.045 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.693 ' H ' ' C ' ' A' ' 57' ' ' GLN . 75.5 m -41.27 165.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 1.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.654 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.2 p30 -111.89 158.1 19.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 1.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.988 ' O ' ' O ' ' A' ' 6' ' ' PHE . 30.3 m -150.97 178.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.862 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -148.95 139.1 22.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 1.0 110.433 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.672 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -116.06 157.3 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 1.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 1.036 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.8 m -139.72 148.27 42.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 110.452 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 65' ' ' VAL . 4.9 p -143.73 107.27 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.815 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -129.42 120.58 25.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.648 ' O ' ' CD ' ' A' ' 70' ' ' GLU . . . 146.14 -129.98 3.56 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 1.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.587 ' N ' ' HG ' ' A' ' 31' ' ' SER . . . -97.41 -67.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 1.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.652 ' O ' ' N ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -36.67 -37.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 1.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.679 ' O ' HG21 ' A' ' 65' ' ' VAL . 3.7 mt-10 15.79 -82.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 1.0 110.349 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.652 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -55.28 -73.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -43.61 -51.03 7.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 1.0 110.257 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.708 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -48.58 -78.8 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 1.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.637 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.84 -31.67 64.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 1.0 110.924 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 71' ' ' ALA . . . -47.4 -56.98 5.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 1.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.513 ' HB2' ' CG2' ' A' ' 25' ' ' THR . . . -60.95 -56.07 25.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 1.0 109.346 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.564 HG21 HG12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.35 -58.17 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.637 ' CG2' ' O ' ' A' ' 74' ' ' MET . 20.2 t -48.43 -61.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 1.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.929 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -53.74 -37.53 63.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.0 110.345 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.665 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -69.49 -56.14 8.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 1.0 110.405 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.666 HD13 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -39.06 -42.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 1.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.607 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -95.68 -16.16 22.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.929 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -76.98 -37.36 55.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 1.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.64 ' CD ' ' O ' ' A' ' 80' ' ' THR . 0.0 OUTLIER -93.62 3.94 54.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.632 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 60.87 4.82 4.69 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 1.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 1.186 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 1.5 tt -74.13 -15.11 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 1.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.947 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -156.35 164.57 38.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 1.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.476 ' HG2' ' CG1' ' A' ' 9' ' ' VAL . 15.2 mt-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 1.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.259 -0.274 . . . . 1.0 110.259 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.755 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.7 150.7 41.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 1.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.812 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.0 tptt -133.21 112.9 12.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.669 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 0.9 OUTLIER -85.09 156.39 21.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 1.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.812 ' CZ ' ' CG ' ' A' ' 4' ' ' LYS . 69.9 m-85 -155.8 -176.28 5.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.931 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -146.03 136.43 23.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 1.0 109.557 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 1.059 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 2.9 mm -64.43 124.02 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 1.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.645 HG13 ' CD2' ' A' ' 7' ' ' HIS . 14.1 m -121.22 2.38 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 1.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -86.95 -16.45 35.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 7.8 pt-20 46.43 15.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 1.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.566 ' CG2' ' N ' ' A' ' 13' ' ' GLY . 6.6 t -67.94 -57.36 6.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 1.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.798 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 135.88 12.2 1.18 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.477 1.111 . . . . 1.0 111.037 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.678 ' CD1' ' N ' ' A' ' 14' ' ' ILE . 0.3 OUTLIER 44.06 68.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.415 0.715 . . . . 1.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.866 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.5 p80 -97.84 176.92 5.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 1.0 109.592 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.74 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.5 -35.2 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.864 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.91 -72.52 0.27 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 1.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.866 ' HD3' ' CE1' ' A' ' 15' ' ' HIS . 18.3 Cg_endo -74.99 -31.39 6.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 1.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.932 ' O ' HG11 ' A' ' 23' ' ' VAL . . . -56.83 -53.71 54.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.839 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -72.34 -35.1 68.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 1.0 110.379 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.642 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.8 tt -39.88 -51.67 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 1.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -73.63 -51.76 15.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.932 HG11 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -57.39 -44.83 85.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 1.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.839 ' N ' ' O ' ' A' ' 20' ' ' THR . 6.7 pt20 -58.45 -39.37 79.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 1.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.767 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.69 -28.23 26.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 1.0 110.348 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.783 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -83.91 -35.61 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 1.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.718 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -91.76 45.59 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 1.0 110.002 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.811 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -149.49 21.05 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.811 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 22.4 m-85 -118.08 137.38 52.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 1.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -63.1 -5.76 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 1.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.613 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -98.11 174.2 6.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 110.029 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.871 ' N ' ' O ' ' A' ' 66' ' ' ASP . 3.2 m-20 -95.17 92.88 7.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 1.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 1.064 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -114.52 127.67 71.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 1.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.577 ' O ' HG13 ' A' ' 63' ' ' ILE . 36.0 m-20 -138.04 176.19 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 1.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.625 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -118.74 143.2 47.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 1.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.954 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -128.41 112.95 14.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 1.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.733 ' CD2' ' CD2' ' A' ' 53' ' ' LEU . 1.3 t80 -114.16 123.35 49.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 1.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.676 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 16.5 mtmt 73.38 -1.3 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 1.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.64 -2.42 13.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 1.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.954 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -93.63 107.4 19.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 1.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.664 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 3.1 p -102.39 114.36 28.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 1.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.655 ' O ' ' N ' ' A' ' 44' ' ' LEU . 4.3 m -145.51 145.4 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 1.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 1.006 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.9 m-20 -41.94 86.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 1.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.655 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -17.45 -41.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.863 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -66.49 1.55 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 1.006 ' N ' ' O ' ' A' ' 43' ' ' ASN . 6.0 t -88.53 68.6 8.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 1.0 109.949 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.855 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -40.05 -51.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.26 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.478 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 12.6 ttp -40.01 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 1.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.537 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -54.75 -47.49 71.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 1.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.1 t -60.06 -53.33 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 1.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.855 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.3 tpp -39.7 -54.48 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.2 p -58.93 -26.48 64.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.733 ' CD2' ' CD2' ' A' ' 37' ' ' TYR . 1.8 mt -92.74 -87.34 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 1.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.42 125.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 1.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.613 HG13 ' CZ ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -108.91 -173.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 1.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.798 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 159.62 -92.15 0.12 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 1.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.679 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.2 mt-30 -36.56 81.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 1.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.931 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 41.69 11.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.097 . . . . 1.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.679 ' N ' ' O ' ' A' ' 57' ' ' GLN . 13.0 m -47.63 173.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 1.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.845 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.5 p30 -135.05 146.05 48.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 1.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.769 ' O ' ' O ' ' A' ' 6' ' ' PHE . 27.7 m -148.02 173.55 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.868 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -126.94 146.82 50.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 1.0 110.386 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.58 ' O ' ' N ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -118.17 154.32 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 1.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 1.064 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -137.95 149.43 46.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 1.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.654 HG21 ' O ' ' A' ' 70' ' ' GLU . 5.9 p -143.97 123.03 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 1.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.871 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -138.24 123.94 19.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.596 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 140.56 -142.31 12.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 1.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.613 ' N ' ' HG ' ' A' ' 31' ' ' SER . . . -92.13 -47.56 7.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 1.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.687 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -56.23 -26.76 52.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 1.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.687 ' C ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER 0.79 -79.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 1.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.541 ' O ' ' CB ' ' A' ' 75' ' ' ALA . . . -55.36 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 1.0 109.342 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -41.66 -51.04 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 1.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.787 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -50.07 -81.03 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 1.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.693 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -53.84 -32.91 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 1.0 110.962 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 71' ' ' ALA . . . -47.17 -58.46 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.559 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -57.21 -57.02 14.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.58 HG23 ' N ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -46.57 -57.19 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 1.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.693 ' CG2' ' O ' ' A' ' 74' ' ' MET . 9.7 t -50.06 -59.92 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 1.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.93 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -55.66 -46.83 77.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -60.12 -45.1 94.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 1.0 110.414 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.618 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.39 -47.12 37.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 1.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.531 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 3.7 pt20 -94.5 -11.61 29.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 1.0 110.321 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.93 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -84.38 -39.9 18.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 1.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.529 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 10.2 mm-40 -92.66 7.94 41.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 1.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 61.38 6.83 8.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 1.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 1.059 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.6 mt -67.45 -41.35 84.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 1.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.893 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -138.6 176.24 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.436 ' C ' ' HB3' ' A' ' 82' ' ' GLN . 18.2 mt-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.479 ' O ' HG11 ' A' ' 65' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.312 -0.255 . . . . 1.0 110.312 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.787 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -96.63 147.55 23.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.802 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.8 tptt -140.39 114.57 9.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 1.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.665 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 4.4 mp0 -83.46 160.05 21.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 110.358 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.811 ' O ' ' O ' ' A' ' 61' ' ' VAL . 76.4 m-85 -160.31 -176.46 5.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 1.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.924 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -147.97 135.62 20.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.593 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.898 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -63.63 125.73 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.627 ' N ' ' O ' ' A' ' 86' ' ' LEU . 17.3 m -122.23 1.78 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 1.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' CB ' ' HA ' ' A' ' 86' ' ' LEU . . . -88.51 -15.98 33.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 1.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 10.5 pt-20 45.52 17.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 110.276 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.578 ' OG1' ' NE2' ' A' ' 15' ' ' HIS . 7.4 t -67.2 -54.89 16.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 1.0 110.424 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.748 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 133.46 10.03 1.96 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.492 1.12 . . . . 1.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.733 ' CD1' ' N ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER 46.7 65.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.569 0.805 . . . . 1.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.93 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.2 p80 -94.86 178.42 5.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 1.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.755 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -41.7 -33.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.977 ' HB2' ' HD3' ' A' ' 18' ' ' PRO . 7.8 mmm180 -67.82 -71.4 0.32 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.977 ' HD3' ' HB2' ' A' ' 17' ' ' ARG . 18.5 Cg_endo -74.93 -30.62 7.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 1.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.989 ' O ' HG11 ' A' ' 23' ' ' VAL . . . -57.79 -54.67 44.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 1.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.84 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -71.31 -35.58 71.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 110.387 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.66 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.6 tt -39.92 -52.11 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 1.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -73.15 -53.0 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 1.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.989 HG11 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.42 -44.67 80.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.84 ' N ' ' O ' ' A' ' 20' ' ' THR . 4.8 pt20 -58.26 -39.12 78.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.752 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -85.26 -30.45 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 110.407 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.812 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.79 -31.55 23.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 1.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.781 ' N ' ' O ' ' A' ' 23' ' ' VAL . 2.3 p -93.08 42.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 1.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.804 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.18 21.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.274 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.804 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 21.7 m-85 -117.62 135.54 53.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 1.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -66.54 -4.49 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' A' ' 69' ' ' ASP . 14.5 m -97.99 177.67 5.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 110.028 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.834 ' N ' ' O ' ' A' ' 66' ' ' ASP . 1.1 m-20 -93.33 95.92 9.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 1.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 1.054 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -120.17 125.83 74.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 1.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.56 ' O ' HG13 ' A' ' 63' ' ' ILE . 20.8 m-20 -140.64 175.81 9.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 1.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.634 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -118.61 146.89 44.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 109.358 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.909 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -131.61 116.63 17.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 1.0 110.302 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.633 ' CD2' HD13 ' A' ' 53' ' ' LEU . 3.8 t80 -115.95 118.62 33.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 1.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.59 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 19.1 mtmt 71.02 5.36 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.348 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 36' ' ' GLU . . . 117.18 -7.82 16.33 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 1.0 111.03 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.909 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 4.1 tmmm? -85.93 101.1 12.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 1.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.607 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 2.6 t -101.73 115.31 30.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 1.0 110.004 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.682 ' O ' ' N ' ' A' ' 44' ' ' LEU . 5.8 m -147.88 144.17 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 1.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.976 ' O ' ' N ' ' A' ' 46' ' ' SER . 5.0 m-80 -41.54 85.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 1.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.682 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -15.34 -42.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.901 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -64.97 0.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 1.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.976 ' N ' ' O ' ' A' ' 43' ' ' ASN . 13.7 t -87.46 78.55 8.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 1.0 110.055 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.83 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -39.93 -56.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 1.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.564 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -40.82 -73.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 1.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.454 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -57.19 -41.34 92.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 1.0 110.99 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.62 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.7 OUTLIER -65.29 -57.01 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 1.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.83 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.3 tpp -40.09 -44.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 1.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.9 p -73.81 -25.4 60.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 1.0 109.965 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.682 ' HB3' ' CE ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -87.87 -60.19 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.622 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 17.82 104.42 0.0 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 1.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.687 ' O ' ' HB ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -94.32 -175.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 1.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.793 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . 167.75 -94.33 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 1.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.654 ' O ' ' N ' ' A' ' 59' ' ' SER . 8.5 pt20 -33.64 79.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.764 . . . . 1.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.924 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 44.55 8.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.5 1.125 . . . . 1.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.718 ' O ' ' N ' ' A' ' 8' ' ' ILE . 5.7 m -45.87 162.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.736 . . . . 1.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.839 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 3.9 p30 -125.49 147.08 49.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 1.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.811 ' O ' ' O ' ' A' ' 6' ' ' PHE . 30.0 m -147.01 174.53 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 1.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.904 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -130.05 135.95 48.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.0 110.392 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.577 HG12 HG23 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -107.26 157.52 7.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 1.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 1.054 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 m -138.77 145.53 40.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 1.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.783 ' O ' HG11 ' A' ' 65' ' ' VAL . 1.6 p -144.25 123.9 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.834 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -142.83 127.44 18.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.579 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 134.13 -151.55 20.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 1.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.551 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -77.91 -57.98 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.766 . . . . 1.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.671 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -54.42 -29.57 49.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 1.0 109.247 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.692 ' HA ' ' CG2' ' A' ' 65' ' ' VAL . 1.8 pp20? -10.05 -61.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 1.0 110.268 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.629 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -58.89 -75.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 1.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -50.8 -46.03 59.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.744 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -46.69 -77.89 0.09 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.446 1.091 . . . . 1.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.654 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.01 -33.55 64.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 0.808 . . . . 1.0 111.007 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.522 ' CA ' ' HE1' ' A' ' 74' ' ' MET . . . -47.55 -53.53 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 1.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.552 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -62.43 -59.23 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 1.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.577 HG23 HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -45.0 -57.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.654 ' CG2' ' O ' ' A' ' 74' ' ' MET . 15.2 t -50.51 -60.87 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 1.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.896 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -55.04 -49.79 70.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 110.245 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.552 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -58.49 -47.1 85.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 1.0 110.449 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.74 ' HB3' ' HB1' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -45.21 -48.0 12.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 1.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.567 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 6.0 pt20 -95.44 -12.51 25.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 1.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.896 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.53 -40.62 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 1.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.558 ' CB ' HD12 ' A' ' 21' ' ' LEU . 8.7 mm-40 -91.42 5.09 50.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 1.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.498 ' O ' ' CG2' ' A' ' 9' ' ' VAL . . . 67.69 -4.73 3.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.898 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.3 mt -53.78 -50.4 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 0.754 . . . . 1.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.786 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -130.84 174.7 9.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 1.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.443 ' O ' HG12 ' A' ' 65' ' ' VAL . 10.6 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.327 -0.249 . . . . 1.0 110.327 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.765 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.1 OUTLIER -115.57 142.87 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.805 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 39.1 tptt -124.9 109.91 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 1.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.648 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 3.0 mp0 -84.92 143.06 29.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 1.006 ' O ' ' O ' ' A' ' 61' ' ' VAL . 23.4 m-85 -145.4 -178.48 6.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.925 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -145.49 143.2 29.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.0 109.619 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.659 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 3.7 mm -73.25 107.4 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 1.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.998 ' N ' ' O ' ' A' ' 86' ' ' LEU . 14.9 m -93.24 10.45 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.617 ' HB1' ' O ' ' A' ' 85' ' ' GLY . . . -126.83 117.02 21.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 1.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 12' ' ' THR . 7.8 pt-20 -60.82 -3.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.707 ' CG2' ' N ' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -31.56 -76.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 110.412 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.852 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 130.06 31.68 0.57 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 1.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.627 ' CD1' ' CD2' ' A' ' 86' ' ' LEU . 0.9 OUTLIER 31.2 73.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 1.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.82 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.4 p80 -97.14 174.88 6.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.585 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.719 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -39.92 -34.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.911 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -63.84 -75.59 0.13 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.911 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.04 -27.78 9.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 1.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.865 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -58.42 -52.96 63.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.847 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -73.71 -37.79 65.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 1.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.679 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 3.6 tt -39.94 -49.18 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 1.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.641 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -74.05 -52.21 13.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.865 HG12 ' O ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -58.71 -44.8 90.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 1.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.847 ' N ' ' O ' ' A' ' 20' ' ' THR . 7.8 pt20 -57.96 -39.23 77.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.708 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -86.46 -34.58 20.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 110.423 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.849 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -73.43 -38.89 65.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 1.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -90.89 14.61 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.0 109.989 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.876 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -104.02 5.97 35.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 1.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.787 ' CE1' ' CD ' ' A' ' 28' ' ' LYS . 12.3 m-85 -109.31 165.21 11.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 1.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -94.28 0.81 55.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 1.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.555 ' HG ' ' N ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -95.88 177.88 5.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 1.0 110.003 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.8 ' N ' ' O ' ' A' ' 66' ' ' ASP . 15.3 m-20 -95.84 81.62 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 1.103 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -106.63 125.67 62.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.572 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 19.2 m-20 -138.08 178.0 7.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.625 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.26 141.06 48.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 1.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.85 ' N ' ' O ' ' A' ' 62' ' ' THR . 30.4 tt0 -124.14 116.24 22.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 1.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.618 ' CE1' ' CG ' ' A' ' 38' ' ' LYS . 3.5 t80 -116.06 114.31 24.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 1.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.618 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 12.7 mtmt 70.35 5.03 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.447 ' C ' ' HG3' ' A' ' 36' ' ' GLU . . . 120.17 -7.73 11.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 1.0 111.016 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.84 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -86.34 98.04 10.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 1.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.612 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 3.8 p -102.23 111.16 23.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 110.036 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.731 ' O ' ' N ' ' A' ' 44' ' ' LEU . 4.3 m -144.3 147.08 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.0 109.363 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.986 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.1 m120 -42.41 81.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.731 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -12.87 -43.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 1.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.957 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.4 tttt -67.65 3.83 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 1.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.986 ' N ' ' O ' ' A' ' 43' ' ' ASN . 16.3 t -89.1 81.62 6.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 1.0 109.959 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.775 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -39.86 -56.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.551 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 10.3 ttp -41.39 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.455 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -54.75 -43.45 80.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 1.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.688 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.8 OUTLIER -61.7 -59.8 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 1.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.775 ' N ' ' O ' ' A' ' 47' ' ' ILE . 13.9 mmm -39.56 -42.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.0 p -76.02 -26.02 56.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 1.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.678 ' O ' ' O ' ' A' ' 54' ' ' GLY . 0.3 OUTLIER -90.83 -56.09 3.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 1.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.688 ' N ' ' O ' ' A' ' 50' ' ' VAL . . . 15.8 108.53 0.0 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.587 1.179 . . . . 1.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.612 ' CG1' ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -100.95 -175.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 1.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.852 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 164.96 -91.29 0.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.119 . . . . 1.0 111.047 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.669 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.6 mt-30 -35.56 83.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 1.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.751 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 40.06 15.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 1.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.669 ' N ' ' O ' ' A' ' 57' ' ' GLN . 4.0 m -51.73 172.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 1.0 110.04 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.701 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.7 p30 -136.18 145.26 45.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 1.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 1.006 ' O ' ' O ' ' A' ' 6' ' ' PHE . 26.9 m -147.15 177.45 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 1.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.85 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -132.67 133.36 43.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.0 110.391 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -102.69 153.61 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.238 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 1.103 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 m -139.63 148.83 43.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 1.0 110.44 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 65' ' ' VAL . 5.1 p -142.34 112.91 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.8 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -129.84 121.83 27.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 1.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.608 ' O ' ' CD ' ' A' ' 70' ' ' GLU . . . 143.55 -129.69 3.8 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.547 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . -98.83 -69.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.734 . . . . 1.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.675 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -37.94 -29.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 1.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.675 ' C ' ' O ' ' A' ' 69' ' ' ASP . 40.0 mt-10 8.36 -84.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -54.48 -70.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -44.39 -50.61 9.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 1.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.772 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -49.4 -79.31 0.07 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.559 1.162 . . . . 1.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.673 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -51.64 -33.84 35.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 1.0 110.957 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -46.6 -61.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 1.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.5 ' HB3' ' CG2' ' A' ' 25' ' ' THR . . . -53.6 -55.21 27.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 1.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.615 HG21 ' N ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -46.43 -55.44 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 1.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.673 ' CG2' ' O ' ' A' ' 74' ' ' MET . 4.6 t -51.26 -62.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.943 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -52.99 -37.09 61.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 110.344 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.683 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -70.02 -55.35 9.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 1.0 110.371 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.64 ' CD1' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -39.06 -42.71 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 1.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.534 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 2.6 pt20 -95.43 -17.55 21.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 110.341 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.943 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -73.91 -32.24 63.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.619 ' CD ' ' O ' ' A' ' 80' ' ' THR . 0.0 OUTLIER -97.74 8.06 45.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 1.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.617 ' O ' ' HB1' ' A' ' 10' ' ' ALA . . . 60.1 6.84 5.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.46 1.1 . . . . 1.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.998 ' O ' ' N ' ' A' ' 9' ' ' VAL . 1.8 tp -71.02 -59.24 2.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.925 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -116.06 164.85 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.443 ' C ' ' HB3' ' A' ' 82' ' ' GLN . 61.4 mt-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 1.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.428 ' O ' HG12 ' A' ' 65' ' ' VAL . 7.6 mt-10 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.29 -0.263 . . . . 1.0 110.29 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.812 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -104.88 134.88 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 1.0 109.337 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.824 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 43.9 tptt -121.08 111.75 17.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.675 ' CG ' ' OG1' ' A' ' 62' ' ' THR . 8.5 mp0 -82.48 157.11 23.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 1.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.89 ' O ' ' O ' ' A' ' 61' ' ' VAL . 86.3 m-85 -157.53 -177.5 6.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.893 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -145.73 134.12 21.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 1.0 109.606 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.977 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -62.06 129.77 25.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 1.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.663 HG11 ' CD2' ' A' ' 7' ' ' HIS . 16.5 m -127.41 20.36 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 1.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -101.99 -17.16 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.531 ' HA ' ' H ' ' A' ' 58' ' ' GLY . 11.2 pt-20 45.39 18.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 1.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.638 ' CG2' ' N ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -80.19 -60.59 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 1.0 110.346 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.778 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 134.88 54.15 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 1.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.711 ' C ' ' O ' ' A' ' 13' ' ' GLY . 1.1 mp 2.39 76.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 1.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.894 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.0 p80 -97.82 176.84 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 1.0 109.619 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.77 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.2 -36.36 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 1.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.871 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -63.86 -73.22 0.22 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 1.0 110.325 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.894 ' HD3' ' CE1' ' A' ' 15' ' ' HIS . 18.4 Cg_endo -74.95 -30.63 7.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.477 1.778 . . . . 1.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 1.004 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -56.38 -53.7 54.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 1.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.805 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -72.04 -35.32 69.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 110.367 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.634 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -40.8 -51.72 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -72.46 -52.68 14.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 1.004 HG12 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -55.99 -45.85 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 1.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.805 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.0 pt20 -57.82 -38.72 76.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 1.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.816 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.01 -25.68 29.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 110.433 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.738 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -86.88 -33.94 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.718 ' N ' ' O ' ' A' ' 23' ' ' VAL . 36.2 t -93.66 39.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.791 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -143.7 23.36 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 1.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.816 ' CZ ' ' O ' ' A' ' 25' ' ' THR . 21.9 m-85 -116.42 128.28 55.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -50.84 -16.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 1.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.597 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . 32.5 p -104.22 -177.74 3.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 1.0 110.039 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.77 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -86.76 155.51 20.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 1.027 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -179.47 117.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 1.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.568 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 23.9 m-20 -130.74 179.71 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 1.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.716 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -119.29 148.19 43.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.924 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -128.42 115.38 18.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 1.0 110.278 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.77 ' CD2' ' CD2' ' A' ' 53' ' ' LEU . 2.8 t80 -118.89 124.17 46.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 1.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.655 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 9.8 mtmt 72.86 0.63 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.43 -1.87 22.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.547 1.154 . . . . 1.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.86 ' NZ ' ' O ' ' A' ' 49' ' ' GLY . 10.8 tttt -96.83 108.11 20.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 0.735 . . . . 1.0 109.354 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.605 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 4.2 p -101.38 116.19 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.603 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -146.15 147.42 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 1.0 109.291 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 1.019 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.7 OUTLIER -41.68 89.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 1.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.716 ' HG ' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -23.39 -38.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.761 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -74.78 9.89 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 1.019 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.7 t -93.43 78.32 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 1.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.803 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -41.21 -59.47 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.594 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -39.92 -68.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 110.962 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.86 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -57.4 -55.25 31.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 1.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.544 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -56.27 -50.17 72.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 0.731 . . . . 1.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.803 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.8 tpp -40.81 -54.11 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.475 ' OG ' ' NZ ' ' A' ' 40' ' ' LYS . 1.1 p -64.57 -24.89 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 109.957 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.77 ' CD2' ' CD2' ' A' ' 37' ' ' TYR . 2.1 mt -94.25 -93.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 1.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.613 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 63.62 137.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.148 . . . . 1.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.586 ' CG1' ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -124.54 -171.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 1.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.778 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 157.13 -86.21 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 1.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.691 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.9 pt20 -40.98 80.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 1.0 110.273 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.893 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 41.8 11.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.438 1.086 . . . . 1.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.691 ' N ' ' O ' ' A' ' 57' ' ' GLN . 27.3 m -48.45 165.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 1.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.743 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.7 p30 -125.69 143.93 50.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.89 ' O ' ' O ' ' A' ' 6' ' ' PHE . 35.5 m -146.89 174.61 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 1.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.924 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.81 141.44 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.417 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -112.79 148.67 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 1.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 1.027 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.5 m -133.18 139.46 47.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 110.453 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.719 HG21 ' O ' ' A' ' 70' ' ' GLU . 3.7 p -132.66 124.9 51.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.77 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -138.29 123.06 18.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.597 ' HA3' ' CB ' ' A' ' 31' ' ' SER . . . 137.72 -163.62 25.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 1.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -69.43 -53.69 18.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 0.743 . . . . 1.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.648 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -60.62 -21.33 62.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.0 109.251 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.985 ' O ' ' HG3' ' A' ' 74' ' ' MET . 2.1 pp20? -14.7 -58.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 1.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -61.06 -76.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -46.02 -50.18 15.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 110.331 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.698 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -43.84 -76.32 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 1.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.985 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 1.9 ppp? -50.17 -43.14 52.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 1.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.575 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -41.43 -61.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.525 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -52.13 -61.11 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.576 HG23 HG21 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -44.51 -56.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 1.0 109.273 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 74' ' ' MET . 5.4 t -51.55 -61.68 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.923 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -52.95 -46.93 68.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 1.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.57 HG23 HD22 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -60.83 -44.85 96.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 1.0 110.402 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.615 ' CD1' ' HB1' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.95 -46.46 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -93.98 -14.37 25.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 1.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.923 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.59 -42.45 20.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 1.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.546 ' CD ' HD12 ' A' ' 21' ' ' LEU . 9.5 mm-40 -90.78 12.08 20.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 110.342 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 54.93 14.59 5.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 1.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.977 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -73.15 -44.2 60.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 1.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.791 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -134.07 163.76 28.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 1.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtp . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.479 0.181 . . . . 1.0 111.048 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.482 ' O ' ' O ' ' A' ' 65' ' ' VAL . 7.8 mt-10 -142.02 135.29 29.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 1.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.727 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.03 152.91 23.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.258 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.829 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 44.6 tptt -136.17 112.14 9.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.691 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -81.57 161.66 23.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 1.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.855 ' O ' ' O ' ' A' ' 61' ' ' VAL . 92.7 m-85 -163.79 -177.31 5.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 1.0 111.013 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.914 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -144.54 139.06 27.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 1.0 109.564 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 1.026 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.1 mm -67.21 123.7 20.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 1.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.591 HG13 ' CD2' ' A' ' 7' ' ' HIS . 15.4 m -117.02 4.92 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 1.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.494 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -86.03 -19.5 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 1.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 15.0 pt-20 45.46 17.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.0 110.249 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.671 HG21 ' HG3' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -77.28 -60.98 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 1.0 110.404 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.75 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 141.79 22.96 0.23 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 1.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.679 ' CD1' ' CD2' ' A' ' 86' ' ' LEU . 0.7 OUTLIER 33.47 73.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 1.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.823 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.3 p80 -98.09 177.34 5.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 1.0 109.595 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.683 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.98 -35.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.881 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -64.96 -73.69 0.21 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.291 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.881 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -74.97 -30.53 7.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 1.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.979 ' O ' HG11 ' A' ' 23' ' ' VAL . . . -57.24 -53.94 52.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 1.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.847 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -71.67 -36.17 70.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 1.0 110.473 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.675 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -40.02 -52.37 2.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 1.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -72.17 -53.34 12.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 1.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.979 HG11 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.46 -45.11 81.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 1.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.847 ' N ' ' O ' ' A' ' 20' ' ' THR . 3.9 pt20 -57.97 -37.98 75.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 1.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.765 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -85.57 -27.61 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 1.0 110.365 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.818 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -85.03 -37.52 20.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 1.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.737 ' N ' ' O ' ' A' ' 23' ' ' VAL . 32.6 t -90.49 45.48 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 1.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.777 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.55 20.61 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.777 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 22.9 m-85 -117.21 142.59 46.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -70.86 1.26 5.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 4.6 m -105.55 176.53 5.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 1.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.832 ' N ' ' O ' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -93.26 97.15 10.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 1.0 109.25 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 1.028 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.71 127.04 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 1.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.661 ' O ' HG13 ' A' ' 63' ' ' ILE . 52.7 m-20 -140.61 177.21 8.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.618 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -119.14 143.05 47.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 1.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.921 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -127.81 116.33 20.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.735 ' CD2' ' CD2' ' A' ' 53' ' ' LEU . 2.7 t80 -118.75 124.53 47.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.648 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 24.6 mtmt 74.34 -5.48 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 1.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 37' ' ' TYR . . . 122.82 -2.82 10.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 1.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.888 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 12.9 tttt -95.49 111.24 23.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 1.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.624 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 1.5 t -104.94 117.99 35.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 109.952 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.631 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.2 m -147.43 148.09 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 1.02 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.3 m-80 -42.78 87.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.67 ' N ' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -19.97 -40.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.8 ' N ' ' O ' ' A' ' 43' ' ' ASN . 2.2 tptt -70.08 5.96 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 1.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 1.02 ' N ' ' O ' ' A' ' 43' ' ' ASN . 33.5 t -88.54 73.1 8.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 1.0 110.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -40.03 -59.84 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.592 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -40.07 -66.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.789 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -59.89 -53.01 49.4 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 1.0 110.977 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.9 OUTLIER -56.59 -51.31 67.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.761 . . . . 1.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.776 ' N ' ' O ' ' A' ' 47' ' ' ILE . 7.9 mmm -40.83 -57.66 1.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 1.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.406 ' OG ' ' NZ ' ' A' ' 40' ' ' LYS . 6.6 p -59.94 -27.9 67.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 1.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.735 ' CD2' ' CD2' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -92.16 -88.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.62 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 58.93 145.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.142 . . . . 1.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.581 ' CG1' ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -128.18 -171.72 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.783 . . . . 1.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.75 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 161.96 -96.4 0.14 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 1.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.658 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.8 pt20 -39.07 87.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 1.0 110.345 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.84 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 39.96 15.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.1 . . . . 1.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.706 ' O ' ' N ' ' A' ' 8' ' ' ILE . 5.0 m -55.81 133.96 51.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 0.798 . . . . 1.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.835 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 5.2 p-10 -97.21 147.21 24.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 1.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.855 ' O ' ' O ' ' A' ' 6' ' ' PHE . 31.2 m -147.18 179.19 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 1.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.921 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -135.6 136.91 41.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 1.0 110.399 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.661 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -109.3 155.98 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 1.028 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -135.26 145.24 47.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 1.0 110.404 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.693 HG13 ' HG2' ' A' ' 74' ' ' MET . 0.8 OUTLIER -143.51 122.81 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.832 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.8 129.85 23.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.573 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 128.31 -153.1 19.37 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 1.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.571 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -74.22 -61.19 1.94 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 0.75 . . . . 1.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.677 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -52.02 -31.12 28.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.768 ' O ' ' HG3' ' A' ' 74' ' ' MET . 3.0 pp20? -9.62 -59.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.666 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -64.21 -68.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 1.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -54.87 -47.09 74.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 1.0 110.292 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.675 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -47.42 -73.08 0.34 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.119 . . . . 1.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.768 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -56.44 -37.59 70.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 1.0 111.018 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.504 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -44.76 -55.43 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 1.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.563 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -59.82 -59.26 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.556 HG22 HG12 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -45.13 -58.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.636 HG21 ' O ' ' A' ' 74' ' ' MET . 6.8 t -49.96 -60.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.903 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -54.3 -48.85 70.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.563 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -59.68 -46.62 88.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 110.424 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.61 ' CD1' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -45.36 -48.3 13.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.575 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -94.06 -13.17 27.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 1.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.903 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.82 -38.34 25.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 1.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.538 ' CB ' HD12 ' A' ' 21' ' ' LEU . 6.8 mm-40 -96.71 13.61 27.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 1.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 54.29 18.43 9.76 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 1.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 1.026 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.3 mt -79.04 -39.24 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.914 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -142.5 161.45 38.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -92.98 177.82 5.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.499 0.19 . . . . 1.0 111.04 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.491 ' O ' HG11 ' A' ' 65' ' ' VAL . 9.3 mt-10 -143.83 101.27 3.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.802 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -91.55 150.36 21.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.831 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.9 tptt -141.77 111.55 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.694 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.2 mp0 -81.23 150.34 28.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 1.0 110.307 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.864 ' O ' ' O ' ' A' ' 61' ' ' VAL . 27.9 m-85 -150.77 -173.74 4.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.944 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -149.94 136.79 19.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.599 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 1.073 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.5 mm -66.63 126.21 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.592 HG13 ' CD2' ' A' ' 7' ' ' HIS . 16.2 m -121.97 5.27 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' O ' ' CG ' ' A' ' 11' ' ' GLU . . . -83.87 -19.6 34.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 1.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.9 pt-20 46.91 16.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 1.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.656 HG22 ' HG3' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -77.26 -60.66 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.418 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.742 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 139.42 24.17 0.31 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 1.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.689 ' CD1' ' CD2' ' A' ' 86' ' ' LEU . 0.6 OUTLIER 33.49 75.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 1.0 109.332 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.817 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.3 p80 -99.27 177.03 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.614 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.725 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -39.95 -35.68 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 1.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.88 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.16 -73.55 0.21 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 1.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.88 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -74.96 -30.67 6.98 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.769 . . . . 1.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.996 ' O ' HG11 ' A' ' 23' ' ' VAL . . . -56.33 -53.96 51.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 1.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.853 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -72.89 -35.1 67.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 1.0 110.399 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.646 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.9 tt -39.81 -51.95 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 1.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -74.05 -53.06 10.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.996 HG11 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.45 -43.74 78.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 1.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.853 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.1 pt20 -59.9 -39.24 84.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 1.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.761 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -83.9 -29.79 26.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 1.0 110.406 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.779 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -83.56 -36.65 23.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.717 ' N ' ' O ' ' A' ' 23' ' ' VAL . 51.6 p -90.47 44.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 1.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.796 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -149.12 22.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 1.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.796 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 22.6 m-85 -119.18 141.46 48.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 1.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -69.65 0.13 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 3.5 m -104.62 174.84 5.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 1.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.816 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -92.77 95.89 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 1.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 1.074 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -118.86 123.82 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.661 ' O ' HG13 ' A' ' 63' ' ' ILE . 3.9 m120 -137.19 178.75 6.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.568 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -121.7 141.52 51.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.925 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -123.67 110.34 14.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 1.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.725 ' CE1' ' CG ' ' A' ' 38' ' ' LYS . 4.6 t80 -112.39 113.71 26.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 1.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.725 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 8.8 mtmt 66.67 19.26 10.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 1.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.51 -4.85 40.37 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.123 . . . . 1.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.782 ' CE ' ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -86.8 89.37 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 0.726 . . . . 1.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.584 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 4.3 t -97.18 105.82 18.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.604 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -146.08 150.96 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 1.038 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.7 m-20 -42.02 89.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 1.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.662 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -21.18 -39.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 1.0 109.246 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.798 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -85.51 22.12 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 1.038 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.9 t -94.19 105.5 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.625 ' CG2' ' N ' ' A' ' 48' ' ' MET . 0.6 OUTLIER -40.31 -88.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.625 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -39.84 -60.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 111.014 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.782 ' O ' ' CE ' ' A' ' 40' ' ' LYS . . . -48.71 -22.71 2.91 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 1.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.614 ' HB ' ' O ' ' A' ' 46' ' ' SER . 2.1 t -99.41 -41.25 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 1.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.5 ' CA ' ' HE1' ' A' ' 51' ' ' MET . 0.0 OUTLIER -40.2 -43.83 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 110.984 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -20.82 25.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 1.0 109.986 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.664 ' HG ' ' HB3' ' A' ' 37' ' ' TYR . 5.7 tt -75.18 -108.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 1.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.515 ' N ' ' CD2' ' A' ' 53' ' ' LEU . . . 61.66 117.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.498 1.124 . . . . 1.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.587 ' CG1' ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -121.07 -172.78 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 0.74 . . . . 1.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.742 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 161.1 -93.02 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 1.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.66 ' O ' ' N ' ' A' ' 59' ' ' SER . 7.6 mt-30 -37.17 84.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 1.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.856 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 39.84 15.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 1.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.67 ' O ' ' N ' ' A' ' 8' ' ' ILE . 7.8 m -54.91 133.01 47.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 0.744 . . . . 1.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.809 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 4.6 p-10 -97.98 145.58 26.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.864 ' O ' ' O ' ' A' ' 6' ' ' PHE . 27.2 m -145.78 173.04 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 1.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.925 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.45 129.99 45.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 1.0 110.394 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.661 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -102.28 158.14 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 1.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 1.074 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.6 m -140.28 145.56 37.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 1.0 110.432 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.774 ' O ' HG11 ' A' ' 65' ' ' VAL . 2.6 p -142.73 123.22 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.816 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -137.78 132.48 32.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.711 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 129.57 -148.73 18.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 1.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.573 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -83.48 -49.66 9.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 1.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.685 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -57.32 -32.11 66.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 1.0 109.244 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.711 ' HG2' ' O ' ' A' ' 67' ' ' GLY . 0.7 OUTLIER -5.08 -69.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 110.333 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.589 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -56.87 -72.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 1.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -50.49 -47.92 57.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 1.0 110.342 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.709 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -47.75 -78.81 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 1.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.694 ' O ' HG22 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -55.23 -34.2 63.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 1.0 110.993 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 71' ' ' ALA . . . -46.29 -54.36 9.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 1.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.556 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -60.92 -56.77 17.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.558 HG23 HG12 ' A' ' 63' ' ' ILE . 0.6 OUTLIER -47.54 -61.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 74' ' ' MET . 5.7 t -45.35 -60.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 1.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.892 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -54.14 -49.69 68.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.556 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -59.01 -47.66 84.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 1.0 110.382 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.662 HD11 ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -44.25 -46.8 9.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 1.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.493 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -96.14 -14.33 22.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 110.293 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.892 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.55 -38.83 25.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.527 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 6.3 mm-40 -96.42 14.75 23.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 1.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 51.53 18.75 3.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 1.0 110.99 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 1.073 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.4 mt -81.07 -26.45 36.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 0.759 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.944 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -150.42 171.75 16.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.1 -173.92 2.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 1.0 110.341 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 1.0 110.286 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.411 ' N ' ' HE3' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.498 0.189 . . . . 1.0 110.995 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.51 ' O ' HG11 ' A' ' 65' ' ' VAL . 6.1 mt-10 -141.68 95.22 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 1.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.773 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -91.77 151.73 20.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 1.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.824 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 45.7 tptt -143.37 112.66 6.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.669 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.3 mp0 -81.45 161.62 23.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 1.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.824 ' CZ ' ' CG ' ' A' ' 4' ' ' LYS . 91.5 m-85 -163.05 -176.92 5.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 1.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.973 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -144.95 133.35 21.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 1.0 109.634 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 1.026 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.6 mm -61.46 133.16 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 1.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.627 HG12 ' CD2' ' A' ' 7' ' ' HIS . 15.3 m -130.19 13.71 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 1.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.478 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -92.02 -17.68 24.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 1.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.1 pt-20 46.09 18.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 1.0 110.272 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.798 HG22 ' HG3' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -81.67 -61.02 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 1.0 110.353 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.756 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 137.69 23.36 0.44 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 1.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.691 ' CD1' ' CD2' ' A' ' 86' ' ' LEU . 0.5 OUTLIER 37.96 72.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 1.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.804 ' O ' ' N ' ' A' ' 19' ' ' ALA . 2.1 p80 -97.76 177.79 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.647 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.857 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.86 -33.77 0.33 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 1.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.871 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -66.52 -73.34 0.22 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 1.0 110.278 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.871 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -74.99 -28.68 8.97 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.802 . . . . 1.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.804 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -59.23 -50.5 73.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 1.159 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.24 -38.41 66.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 1.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.614 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.4 tt -40.22 -55.93 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 1.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 26' ' ' ALA . 1.8 pp -69.47 -64.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.159 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 2.7 p -46.53 -51.25 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 1.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.782 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -52.45 -38.64 59.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.749 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -83.97 -29.09 27.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 1.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.814 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.46 -35.09 23.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.788 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -91.54 44.63 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 109.983 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.777 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -149.98 23.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.777 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 22.3 m-85 -119.61 138.41 53.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 1.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -68.46 -4.78 16.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 1.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 69' ' ' ASP . 4.7 m -97.83 178.14 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.949 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.839 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -94.07 94.76 8.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 1.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 1.02 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -118.18 127.16 75.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 1.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.608 ' O ' HG13 ' A' ' 63' ' ' ILE . 14.7 m-20 -140.11 176.3 8.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.603 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -119.5 141.26 49.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 1.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.938 ' O ' ' N ' ' A' ' 62' ' ' THR . 43.4 tt0 -127.44 116.28 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 1.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.749 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 1.7 t80 -123.39 123.31 40.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 1.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.701 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 17.4 mtmt 71.69 -0.77 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 1.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.68 -13.78 9.27 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 1.0 111.036 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.799 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -82.05 105.4 13.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 1.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.562 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 13.4 p -108.52 112.23 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 1.0 109.974 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.681 ' O ' ' N ' ' A' ' 44' ' ' LEU . 2.3 m -145.99 147.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 1.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 1.01 ' O ' ' N ' ' A' ' 45' ' ' LYS . 1.5 m120 -44.38 84.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 1.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.688 ' C ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -11.64 -41.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 1.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 1.01 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -63.87 -2.22 1.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 1.0 109.317 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.939 ' N ' ' O ' ' A' ' 43' ' ' ASN . 12.9 t -87.97 71.59 9.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 1.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.938 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.1 tp -40.14 -52.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 1.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.475 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -40.58 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 1.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.506 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -55.66 -44.37 86.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 1.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.578 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -65.7 -49.47 77.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 1.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.938 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.5 tpp -40.05 -60.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 1.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.7 p -62.15 -14.72 40.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 109.96 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.749 ' CD1' ' HB3' ' A' ' 37' ' ' TYR . 1.1 mt -95.07 -93.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 58.54 130.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 1.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.683 HG12 ' CD2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -117.65 -175.03 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 1.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.767 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . 164.43 -92.75 0.11 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.461 1.101 . . . . 1.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.691 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.9 pt20 -35.92 80.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 1.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.973 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 43.58 7.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.538 1.149 . . . . 1.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.691 ' N ' ' O ' ' A' ' 57' ' ' GLN . 8.6 m -42.57 165.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 0.779 . . . . 1.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.81 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 3.6 p-10 -126.72 145.31 50.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.809 ' O ' ' O ' ' A' ' 6' ' ' PHE . 33.3 m -146.7 177.6 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.938 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -134.53 129.6 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 1.0 110.406 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -101.43 156.02 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 1.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 1.02 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.8 m -137.1 145.11 43.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 1.0 110.438 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.783 ' O ' HG11 ' A' ' 65' ' ' VAL . 1.6 p -143.78 123.8 8.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 1.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.839 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.42 129.99 24.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.588 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 130.38 -152.56 19.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 1.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -77.75 -55.17 5.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 1.0 109.275 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.659 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -56.08 -28.94 59.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 1.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.722 ' HA ' ' CG2' ' A' ' 65' ' ' VAL . 2.8 pp20? -12.3 -60.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 1.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.583 ' N ' ' CD ' ' A' ' 70' ' ' GLU . . . -60.55 -69.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 1.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -54.46 -47.48 72.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 1.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.715 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -47.48 -76.24 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 1.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.678 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.82 -33.58 66.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.766 . . . . 1.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.527 ' CA ' ' HE2' ' A' ' 74' ' ' MET . . . -47.48 -51.26 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.578 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -65.76 -58.47 5.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.597 HG23 ' N ' ' A' ' 78' ' ' VAL . 0.3 OUTLIER -46.05 -56.88 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 1.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.678 ' CG2' ' O ' ' A' ' 74' ' ' MET . 12.5 t -51.33 -60.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 1.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.903 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -55.52 -49.96 71.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 1.0 110.256 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.578 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -57.85 -46.51 84.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 1.0 110.423 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.587 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.04 -46.29 33.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 1.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.55 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -95.03 -12.51 26.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 1.0 110.297 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.903 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -83.64 -39.9 19.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 1.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.551 ' CB ' HD11 ' A' ' 21' ' ' LEU . 6.6 mm-40 -96.33 16.66 17.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 1.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 50.4 18.77 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 1.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 1.026 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 2.1 mt -80.07 -23.65 41.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 1.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.891 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -155.39 158.78 39.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.66 -176.16 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 1.0 110.254 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.799 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 3.4 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.499 0.19 . . . . 1.0 110.98 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.416 ' O ' HG13 ' A' ' 65' ' ' VAL . 4.7 mt-10 -130.98 150.5 52.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 1.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.758 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -117.14 160.3 21.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 1.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.858 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 48.4 tptt -145.08 114.73 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.666 ' CB ' ' OG1' ' A' ' 62' ' ' THR . 1.4 mp0 -87.76 148.16 24.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 1.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.858 ' CZ ' ' CG ' ' A' ' 4' ' ' LYS . 55.4 m-85 -147.2 -178.72 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 1.028 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -145.38 132.65 20.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.0 109.618 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.947 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.7 mm -60.82 127.65 20.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 1.0 109.366 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.603 HG11 ' CD2' ' A' ' 7' ' ' HIS . 9.2 m -125.38 8.63 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 1.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.504 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -93.13 -12.79 29.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.496 ' HA ' ' H ' ' A' ' 58' ' ' GLY . 7.8 pt-20 46.69 16.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 1.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.652 HG22 ' HG3' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -69.48 -78.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.434 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.734 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 154.39 14.44 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 1.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.579 ' CD1' ' N ' ' A' ' 14' ' ' ILE . 0.4 OUTLIER 39.06 68.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 1.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.867 ' O ' ' N ' ' A' ' 19' ' ' ALA . 3.2 p80 -99.09 -179.71 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 1.0 109.62 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.876 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -39.75 -35.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.848 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -67.62 -71.89 0.29 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 1.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.859 ' HD3' ' CE1' ' A' ' 15' ' ' HIS . 18.4 Cg_endo -75.01 -27.61 9.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 1.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.867 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -61.43 -47.3 86.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 1.15 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -73.5 -39.82 64.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 110.388 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.602 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 2.0 tt -39.82 -57.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.542 ' CD2' HD21 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -69.01 -64.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.15 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 4.8 p -46.76 -52.03 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 1.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.798 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -50.73 -38.71 49.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.369 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.797 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -83.84 -28.56 27.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.382 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.803 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.95 -33.43 22.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.78 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.8 t -91.39 42.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.022 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.802 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.72 23.85 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 1.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.802 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 21.7 m-85 -120.34 135.66 54.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.415 1.072 . . . . 1.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -64.65 -7.08 9.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 1.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.539 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -93.65 175.99 6.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 110.011 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.873 ' N ' ' O ' ' A' ' 66' ' ' ASP . 8.3 m-20 -94.83 83.58 4.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 1.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 1.034 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -104.94 128.35 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 1.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.607 ' O ' HG13 ' A' ' 63' ' ' ILE . 13.6 m-20 -138.89 174.89 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 1.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.638 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -119.39 141.79 48.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 1.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.963 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -127.12 115.93 19.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 1.0 110.337 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.733 ' CD2' ' CD2' ' A' ' 53' ' ' LEU . 1.5 t80 -118.02 127.13 53.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 1.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.733 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER 71.89 2.02 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 1.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.73 -1.59 23.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.434 1.084 . . . . 1.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.963 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 7.3 tttt -95.62 111.29 23.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 1.0 109.361 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.673 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 3.6 p -104.86 115.94 31.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 1.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.604 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -145.13 143.24 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.963 ' O ' ' N ' ' A' ' 46' ' ' SER . 3.1 m-80 -42.61 88.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 1.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.638 ' HG ' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -19.18 -38.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 1.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.872 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -64.7 -2.14 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.963 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.6 t -87.87 69.91 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 1.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.857 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -41.38 -57.2 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 1.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.559 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -39.94 -69.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 1.0 110.993 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.811 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -56.7 -51.33 57.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 1.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -60.93 -47.53 93.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 0.777 . . . . 1.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.857 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -41.56 -54.51 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 1.0 110.995 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 p -61.88 -22.61 65.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.733 ' CD2' ' CD2' ' A' ' 37' ' ' TYR . 3.6 mt -92.76 -92.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 61.18 127.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 1.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.581 HG11 ' CZ ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -112.86 -172.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 1.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.734 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 159.82 -90.85 0.11 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.421 1.076 . . . . 1.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.727 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.4 pt20 -42.16 89.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 1.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.833 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 39.01 13.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 1.0 111.031 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.727 ' N ' ' O ' ' A' ' 57' ' ' GLN . 2.1 m -51.55 167.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 1.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.803 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.0 p30 -130.92 146.45 52.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.843 ' O ' ' O ' ' A' ' 6' ' ' PHE . 33.8 m -148.55 176.83 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.9 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -134.5 133.04 39.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 1.0 110.392 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.635 HG12 HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -105.82 153.87 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 1.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 1.034 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.6 m -137.56 152.56 49.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 1.0 110.414 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 65' ' ' VAL . 4.4 p -146.24 114.06 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.873 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -132.09 124.49 29.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.427 1.079 . . . . 1.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.701 ' O ' ' CD ' ' A' ' 70' ' ' GLU . . . 141.55 -130.14 4.28 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.517 1.135 . . . . 1.0 111.01 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.539 ' N ' ' HG ' ' A' ' 31' ' ' SER . . . -98.85 -66.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 1.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.676 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -40.77 -30.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.701 ' CD ' ' O ' ' A' ' 67' ' ' GLY . 20.6 mt-10 6.89 -80.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 1.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.597 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -55.93 -68.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -46.44 -51.78 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 1.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.756 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -49.18 -78.19 0.1 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 1.0 111.034 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.647 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -55.44 -33.13 63.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 1.0 111.038 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 71' ' ' ALA . . . -46.84 -57.77 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.531 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -58.07 -57.84 11.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.635 HG22 HG12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.73 -59.04 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 1.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.647 ' CG2' ' O ' ' A' ' 74' ' ' MET . 12.5 t -49.07 -60.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 1.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.998 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -53.68 -43.47 68.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 1.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.531 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -64.92 -50.72 65.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 1.0 110.414 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.676 HD11 ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -42.05 -45.3 3.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 1.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.578 ' NE2' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -95.89 -15.84 22.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 1.0 110.291 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.998 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -79.31 -36.88 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.529 ' CD ' HD12 ' A' ' 21' ' ' LEU . 8.1 mm-40 -97.8 15.6 23.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.95 22.56 3.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.441 1.088 . . . . 1.0 111.002 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.947 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -91.88 -2.56 56.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 1.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 1.028 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -169.14 160.68 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.431 ' CG ' HG13 ' A' ' 9' ' ' VAL . 4.7 mt-10 -85.0 -77.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.421 ' C ' ' CD2' ' A' ' 6' ' ' PHE . 18.7 mt-30 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 1.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.457 ' HG3' ' HB2' ' A' ' 66' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.543 0.211 . . . . 1.0 110.971 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.557 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.2 OUTLIER -106.93 84.49 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.92 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -86.93 152.83 22.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 1.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.812 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 40.1 tptt -143.74 110.85 5.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 1.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.707 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.6 mp0 -83.7 143.98 29.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 1.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.943 ' O ' ' O ' ' A' ' 61' ' ' VAL . 24.4 m-85 -149.1 178.99 8.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.874 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -140.03 139.85 36.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 1.0 109.614 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 1.058 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.5 mm -65.82 127.27 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.641 HG11 ' CD2' ' A' ' 7' ' ' HIS . 14.0 m -123.74 8.56 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 1.0 109.269 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.533 ' CB ' ' HA ' ' A' ' 86' ' ' LEU . . . -97.16 -14.83 21.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 56' ' ' GLY . 9.2 pt-20 45.05 16.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 1.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.677 ' OG1' ' NE2' ' A' ' 15' ' ' HIS . 7.7 t -65.39 -57.46 8.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 1.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.789 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 134.39 9.75 1.79 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 1.0 110.955 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.715 HG12 HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER 47.47 64.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 1.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.886 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.8 p80 -98.2 179.2 4.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 1.0 109.603 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.868 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.77 -35.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 1.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.831 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -67.55 -71.44 0.32 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.886 ' HD3' ' CE1' ' A' ' 15' ' ' HIS . 18.2 Cg_endo -75.06 -28.2 9.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 1.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.862 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -61.39 -49.55 76.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 1.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 1.144 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -71.87 -39.71 69.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 110.389 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.607 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.2 tt -39.8 -58.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 1.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -68.01 -64.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 1.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.144 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 4.6 p -46.33 -52.85 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 1.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.794 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.7 pt20 -50.25 -38.18 39.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.735 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.71 -29.95 25.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 1.0 110.39 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.772 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -82.42 -34.22 28.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.755 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.3 t -92.19 49.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 1.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.756 ' CD ' ' CE1' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -155.35 24.05 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.756 ' CE1' ' CD ' ' A' ' 28' ' ' LYS . 22.6 m-85 -121.06 139.02 53.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -70.24 -1.46 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 1.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.443 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 2.3 m -101.14 176.64 5.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 1.0 109.979 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.881 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -92.6 94.93 9.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 1.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 1.055 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -117.75 126.6 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 1.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.667 ' O ' HG13 ' A' ' 63' ' ' ILE . 25.4 m-20 -138.27 176.89 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 1.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.618 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -122.02 138.34 54.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.876 ' O ' ' N ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -121.21 120.86 36.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 1.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.718 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 2.1 t80 -128.14 128.6 45.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 1.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.584 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 14.4 mtmm 73.38 -7.03 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 37' ' ' TYR . . . 121.42 4.0 10.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 1.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.888 ' NZ ' ' O ' ' A' ' 49' ' ' GLY . 2.0 ttpt -103.76 113.85 27.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 1.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.615 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 4.9 p -108.22 114.14 27.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.611 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -144.33 148.78 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.951 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.9 m-80 -43.93 88.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.624 ' C ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -19.15 -38.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 1.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.881 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -64.55 -2.23 2.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 1.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.951 ' N ' ' O ' ' A' ' 43' ' ' ASN . 6.3 t -87.19 73.01 9.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.846 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -39.85 -58.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 109.3 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.541 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -40.15 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 111.034 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.888 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -56.67 -50.16 65.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 1.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -60.83 -49.47 84.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.522 0.778 . . . . 1.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.846 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.2 mmm -40.46 -55.99 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 1.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 p -59.57 -24.18 63.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.718 ' CD2' ' HB3' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -90.81 -90.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 1.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 53.85 116.56 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 1.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.715 HG23 HG12 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -102.67 -173.29 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 1.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.789 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 164.26 -96.98 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 1.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.699 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.9 mt-30 -35.97 86.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 1.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.835 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 37.7 17.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 1.0 111.058 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.699 ' N ' ' O ' ' A' ' 57' ' ' GLN . 10.3 m -52.87 172.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 0.771 . . . . 1.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.747 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.2 p30 -133.52 147.5 51.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 1.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.943 ' O ' ' O ' ' A' ' 6' ' ' PHE . 29.8 m -149.66 178.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.876 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -135.37 126.61 28.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 1.0 110.409 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.667 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -98.37 158.26 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 1.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 1.055 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 2.3 m -140.66 145.44 36.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 1.0 110.374 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.753 ' O ' HG11 ' A' ' 65' ' ' VAL . 2.1 p -144.63 125.34 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 1.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.881 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.49 138.97 35.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 1.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.653 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 123.95 -144.21 15.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 1.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.625 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -88.63 -50.73 6.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.663 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -55.48 -32.72 63.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 1.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.673 ' HA ' ' CG2' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -5.57 -70.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 1.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -53.01 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -50.08 -48.38 53.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 1.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.747 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -46.54 -79.66 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 1.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.679 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -55.68 -33.31 64.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 1.0 110.982 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 71' ' ' ALA . . . -45.97 -53.87 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 1.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.633 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -63.7 -57.52 9.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.627 HG21 ' N ' ' A' ' 78' ' ' VAL . 0.3 OUTLIER -47.08 -56.17 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.679 ' CG2' ' O ' ' A' ' 74' ' ' MET . 8.0 t -53.07 -60.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.938 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -54.38 -48.01 72.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 1.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.633 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -60.06 -49.38 77.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 110.41 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.602 ' CD1' ' HB1' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -44.61 -46.8 10.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.546 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.52 -14.0 25.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 1.0 110.348 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.938 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.54 -39.91 23.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 1.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.54 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 9.4 mm-40 -94.62 10.37 35.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 1.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 58.91 8.36 5.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 1.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 1.058 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 2.1 mt -68.69 -35.26 76.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 1.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.874 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -145.55 177.25 9.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -83.21 -177.03 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 1.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.446 ' O ' ' CG ' ' A' ' 89' ' ' GLN . 6.5 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 1.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 1.152 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 3.0 mtp . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.506 0.193 . . . . 1.0 111.021 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -150.01 168.06 24.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 1.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.735 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.0 132.56 54.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.83 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 41.4 tptt -114.59 111.12 20.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.682 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 5.3 mp0 -82.8 155.58 24.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 1.0 110.352 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.858 ' O ' ' O ' ' A' ' 61' ' ' VAL . 86.2 m-85 -158.07 -177.0 6.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 1.0 110.998 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.945 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -142.01 134.91 28.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.569 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.979 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -62.76 126.84 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 1.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.603 HG13 ' CD2' ' A' ' 7' ' ' HIS . 13.6 m -121.94 4.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 1.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' CA ' ' O ' ' A' ' 85' ' ' GLY . . . -81.56 -19.18 42.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.2 pt-20 46.01 18.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 1.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.683 HG21 ' HG3' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -81.46 -63.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 1.0 110.43 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.768 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 143.58 20.98 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 1.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.63 ' CD1' ' CD2' ' A' ' 86' ' ' LEU . 0.5 OUTLIER 35.08 72.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 1.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.819 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.5 p80 -98.11 178.02 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 1.0 109.555 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.72 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.07 -34.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.871 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -66.11 -73.02 0.23 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 1.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.871 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.1 Cg_endo -75.06 -30.15 7.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.445 1.761 . . . . 1.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 1.025 ' O ' HG11 ' A' ' 23' ' ' VAL . . . -57.36 -54.57 45.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 1.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.822 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -71.59 -35.57 70.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 1.0 110.433 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.628 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 3.4 tt -39.76 -53.14 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 1.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -72.11 -53.98 11.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 1.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.025 HG11 ' O ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -54.54 -46.74 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 1.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.1 pt20 -56.67 -37.72 71.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.787 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -84.12 -26.1 29.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 1.0 110.432 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.748 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.9 -37.54 20.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 1.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 23' ' ' VAL . 6.3 t -91.86 44.52 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.762 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -147.33 22.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.787 ' CZ ' ' O ' ' A' ' 25' ' ' THR . 22.1 m-85 -116.91 130.84 56.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 1.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -52.33 -16.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 1.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.615 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . 28.7 p -103.92 -176.96 3.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 1.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.702 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -87.18 155.78 19.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 1.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.987 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER 179.86 119.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 1.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.551 ' O ' HG13 ' A' ' 63' ' ' ILE . 24.0 m-20 -134.79 178.36 7.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 1.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.633 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -117.28 147.32 42.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 1.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.93 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -130.16 114.17 15.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 1.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.741 ' CD2' ' CD2' ' A' ' 53' ' ' LEU . 2.4 t80 -117.12 125.5 51.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.679 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 19.6 mtmt 72.39 0.48 3.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 1.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.414 ' HA2' ' CD ' ' A' ' 36' ' ' GLU . . . 115.85 -3.33 21.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 1.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.804 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 14.5 tttt -94.87 108.45 20.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 1.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.619 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 5.6 p -101.98 117.54 35.03 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 1.0 110.021 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.614 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -146.72 149.0 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 1.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 1.013 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.2 m-20 -44.77 87.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.666 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -21.02 -39.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 1.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.802 ' N ' ' O ' ' A' ' 43' ' ' ASN . 4.9 tttp -71.32 6.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 1.013 ' N ' ' O ' ' A' ' 43' ' ' ASN . 8.4 t -90.24 83.97 6.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 1.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.838 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -39.91 -70.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.61 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -46.09 -58.74 3.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 1.0 110.99 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.802 ' O ' ' CE ' ' A' ' 40' ' ' LYS . . . -59.76 -10.57 13.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 1.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -110.48 -43.08 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 1.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.838 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.7 tpp -46.5 -47.24 19.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 1.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.466 ' OG ' ' NZ ' ' A' ' 40' ' ' LYS . 5.3 p -69.73 -27.07 64.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 1.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.741 ' CD2' ' CD2' ' A' ' 37' ' ' TYR . 1.2 mt -94.05 -89.59 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.532 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 58.27 141.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 1.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.603 HG13 ' CG ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -127.37 -172.42 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 1.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.768 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 159.28 -87.72 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 1.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.642 ' CG ' ' O ' ' A' ' 57' ' ' GLN . 4.9 pt20 -43.92 82.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 1.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.895 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 43.77 12.11 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 1.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.704 ' O ' ' N ' ' A' ' 8' ' ' ILE . 7.8 m -52.9 136.5 34.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 1.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.834 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 7.4 p-10 -98.99 145.58 26.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.858 ' O ' ' O ' ' A' ' 6' ' ' PHE . 28.1 m -146.38 175.53 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 1.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.93 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -130.58 137.83 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 1.0 110.394 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.575 HG12 HG22 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -109.94 150.66 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 109.326 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.987 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -132.66 144.27 50.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.412 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.684 ' CG2' ' HA ' ' A' ' 70' ' ' GLU . 4.4 p -139.97 128.81 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 1.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 1.152 ' HA ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -144.67 122.05 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 1.0 109.334 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.615 ' HA3' ' CB ' ' A' ' 31' ' ' SER . . . 140.96 -163.96 26.53 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.544 1.153 . . . . 1.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.1 -51.83 28.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 1.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.652 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -62.37 -22.39 66.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.162 . . . . 1.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.684 ' HA ' ' CG2' ' A' ' 65' ' ' VAL . 2.8 pp20? -14.28 -58.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 1.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.586 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -60.65 -72.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 1.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -52.1 -46.32 65.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 1.0 110.318 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.726 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -46.75 -77.1 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 1.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.668 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -55.05 -37.06 66.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 1.0 110.971 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.21 -54.24 7.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 1.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.57 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -60.33 -59.48 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.575 HG22 HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -45.54 -56.3 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 1.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.624 ' CG2' ' O ' ' A' ' 74' ' ' MET . 6.5 t -51.87 -60.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 1.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.931 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -54.56 -46.31 73.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.57 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -61.77 -43.5 98.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 1.0 110.362 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.2 -47.33 35.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.568 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -94.15 -14.52 25.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 1.0 110.271 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.931 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -82.42 -42.87 18.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 1.0 109.252 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.562 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 3.1 mm-40 -92.75 14.24 17.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.503 ' O ' ' CA ' ' A' ' 10' ' ' ALA . . . 50.95 29.74 20.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 1.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.979 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 6.0 mt -93.27 -17.86 23.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 1.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.945 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -162.56 158.75 23.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 1.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.38 -176.16 4.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 1.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 1.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.731 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.541 0.21 . . . . 1.0 111.039 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -143.95 159.42 42.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 110.331 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.837 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.47 159.62 25.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.813 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 49.4 tptt -144.87 115.65 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 1.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.642 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.9 mp0 -86.93 155.66 20.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.843 ' O ' ' O ' ' A' ' 61' ' ' VAL . 45.9 m-85 -154.52 -177.24 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 1.071 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -148.56 135.13 19.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 1.0 109.638 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 1.108 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.6 mm -62.84 124.35 17.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 1.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.646 HG11 ' CD2' ' A' ' 7' ' ' HIS . 16.2 m -122.57 1.68 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.511 ' CB ' ' HA ' ' A' ' 86' ' ' LEU . . . -84.92 -11.93 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.8 pt-20 45.71 16.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 110.346 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.575 ' CG2' ' NE2' ' A' ' 15' ' ' HIS . 0.8 OUTLIER -68.96 -77.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 1.0 110.425 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.75 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 158.16 2.8 0.08 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.508 1.13 . . . . 1.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.681 ' CD1' ' N ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER 50.95 67.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.548 0.793 . . . . 1.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.848 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.2 p80 -99.33 -179.56 4.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 1.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.812 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.44 -36.11 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 1.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.862 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.92 -72.49 0.27 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 110.318 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.862 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -75.02 -29.84 7.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 1.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.88 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -58.35 -52.67 64.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 1.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.826 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -71.79 -35.93 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 1.0 110.382 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.647 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.9 tt -39.92 -52.01 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -72.99 -51.82 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.88 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.98 -45.42 83.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 1.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.826 ' N ' ' O ' ' A' ' 20' ' ' THR . 4.5 pt20 -56.9 -39.43 74.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 1.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.811 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -85.45 -29.75 24.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 110.44 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.801 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -85.81 -30.7 22.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.815 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -93.32 39.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 109.984 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.796 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -145.56 24.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 1.0 109.31 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.811 ' CE2' ' O ' ' A' ' 25' ' ' THR . 22.1 m-85 -122.02 134.61 54.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -63.67 -4.52 3.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 1.0 109.268 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.605 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 1.1 m -94.41 176.69 6.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.699 ' N ' ' O ' ' A' ' 66' ' ' ASP . 98.1 m-20 -97.35 78.52 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 1.086 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -99.64 128.37 51.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 109.252 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.533 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 26.6 m-20 -140.04 175.48 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 1.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.604 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -118.63 140.5 49.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.927 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -124.85 113.1 17.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 1.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.725 ' CZ ' HG12 ' A' ' 55' ' ' VAL . 1.2 t80 -115.45 122.54 46.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 1.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.719 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 1.6 mtmm 72.76 0.67 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.45 -0.54 18.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 1.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.927 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -95.72 106.11 18.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 1.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.653 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 1.7 p -102.09 113.37 26.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 1.0 109.95 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.673 ' O ' ' N ' ' A' ' 44' ' ' LEU . 4.7 m -144.56 144.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 1.001 ' O ' ' N ' ' A' ' 46' ' ' SER . 5.0 m-20 -40.62 86.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.673 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -16.49 -41.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.882 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -66.98 2.42 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 1.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 1.001 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.9 t -88.25 68.93 9.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.842 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -40.06 -52.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 1.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.481 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 14.5 ttp -40.67 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 1.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.581 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -55.82 -48.15 74.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.137 . . . . 1.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.1 t -60.24 -51.21 75.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 1.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.842 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -41.84 -53.24 3.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 1.0 111.019 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.1 p -59.84 -24.11 63.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 1.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.716 ' CD2' ' CD2' ' A' ' 37' ' ' TYR . 2.0 mt -95.08 -89.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 1.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.82 121.71 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.467 1.105 . . . . 1.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.725 HG12 ' CZ ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -107.84 -174.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 1.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.75 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 157.98 -87.84 0.12 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 1.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.634 ' O ' ' N ' ' A' ' 59' ' ' SER . 12.7 mt-30 -43.36 84.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.886 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 43.08 11.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.567 1.167 . . . . 1.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.692 ' O ' ' N ' ' A' ' 8' ' ' ILE . 2.2 m -47.87 165.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 1.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.8 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 7.8 p-10 -130.38 146.37 51.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 1.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.843 ' O ' ' O ' ' A' ' 6' ' ' PHE . 35.3 m -148.31 173.16 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 1.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.839 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.62 133.76 47.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 110.367 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.649 HG12 HG21 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -104.6 151.92 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 1.086 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.8 m -139.13 152.18 47.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 1.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.793 HG12 ' O ' ' A' ' 65' ' ' VAL . 10.0 p -144.78 107.81 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 1.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.731 ' HA ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -124.81 114.3 19.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.657 ' O ' ' CG ' ' A' ' 70' ' ' GLU . . . 152.1 -131.78 3.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.478 1.111 . . . . 1.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.605 ' N ' ' HG ' ' A' ' 31' ' ' SER . . . -97.09 -66.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 1.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.658 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -39.03 -28.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.104 . . . . 1.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 1.168 ' O ' ' HG3' ' A' ' 74' ' ' MET . 4.4 mt-10 9.92 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.0 110.348 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -54.77 -74.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 1.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -38.97 -53.37 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.758 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -48.08 -80.01 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 1.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 1.168 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 2.2 ppp? -51.7 -39.62 58.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 1.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.62 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -42.46 -65.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.54 ' HB3' HG22 ' A' ' 25' ' ' THR . . . -49.42 -59.16 3.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 1.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.649 HG21 HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -45.73 -56.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 1.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.639 ' CG2' ' O ' ' A' ' 74' ' ' MET . 5.7 t -49.97 -60.79 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.993 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.25 -42.6 66.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 1.0 110.273 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.467 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -65.86 -51.47 58.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 1.0 110.41 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.683 HD11 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -43.55 -42.65 5.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 1.0 109.353 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.466 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -95.41 -16.93 21.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 1.0 110.285 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.993 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -80.63 -40.61 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 1.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 12.7 mm-40 -89.61 7.96 33.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 1.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 54.26 13.27 3.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.517 1.135 . . . . 1.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 1.108 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 2.7 tt -83.17 -6.84 59.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 1.071 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -161.17 158.17 27.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 1.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.52 -174.74 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 1.0 110.288 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.477 ' N ' ' CB ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.539 0.209 . . . . 1.0 111.04 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' VAL . 6.1 mt-10 -152.44 -142.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.749 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -134.46 144.41 48.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.0 109.307 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.831 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 43.1 tptt -127.51 111.39 13.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 1.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.741 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 2.1 mp0 -80.87 161.36 24.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 1.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.831 ' CZ ' ' CG ' ' A' ' 4' ' ' LYS . 88.9 m-85 -164.51 -174.71 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 1.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.863 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -147.08 141.45 26.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.17 . . . . 1.0 109.597 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.975 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -70.11 128.26 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.596 HG13 ' CD2' ' A' ' 7' ' ' HIS . 16.1 m -121.8 4.53 6.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 1.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -87.17 -19.21 28.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 1.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.6 pt-20 45.77 17.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 110.247 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.666 HG22 ' HG3' ' A' ' 18' ' ' PRO . 3.9 t -75.59 -57.19 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 1.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.767 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 136.53 18.41 0.71 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 1.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.654 ' CD1' ' CD2' ' A' ' 86' ' ' LEU . 0.5 OUTLIER 40.58 73.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 1.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.841 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.3 p80 -97.29 176.2 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 1.0 109.628 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.76 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.41 -35.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.868 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.52 -72.79 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.868 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.01 -30.34 7.24 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 1.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.969 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -57.53 -53.95 52.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 1.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.834 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -72.53 -33.31 66.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 1.0 110.392 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.648 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -42.34 -51.21 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 1.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -73.12 -51.56 17.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 1.0 109.317 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.969 HG12 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -57.61 -45.42 86.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 1.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.834 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.0 pt20 -56.94 -40.0 75.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 1.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.816 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -83.93 -24.28 30.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 1.0 110.431 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.75 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -87.52 -33.51 18.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 1.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.732 ' N ' ' O ' ' A' ' 23' ' ' VAL . 5.5 t -93.43 39.18 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 109.972 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.76 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -143.96 25.41 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 1.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.816 ' CZ ' ' O ' ' A' ' 25' ' ' THR . 22.2 m-85 -118.27 128.2 54.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 1.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -54.01 -14.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 1.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.606 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . 66.5 p -104.81 -175.46 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.591 ' O ' ' HA ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -86.44 154.36 21.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 1.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 1.123 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -179.05 116.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 1.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.641 ' O ' HG13 ' A' ' 63' ' ' ILE . 39.1 m-20 -134.7 178.52 6.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 1.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.607 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -118.77 143.12 47.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 1.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.938 ' N ' ' O ' ' A' ' 62' ' ' THR . 54.2 tt0 -128.51 111.56 13.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 1.0 110.232 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.748 ' HB3' ' CD1' ' A' ' 53' ' ' LEU . 1.9 t80 -116.83 120.69 39.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 1.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.728 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 3.5 mtmt 70.63 1.56 3.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 1.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.59 -14.93 9.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 1.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.843 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -79.55 102.75 9.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 0.756 . . . . 1.0 109.273 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.567 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 5.4 t -108.22 110.72 22.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.611 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -147.65 154.9 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 1.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 1.031 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -46.16 86.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 1.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.674 ' N ' HD11 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -18.39 -38.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.879 ' N ' ' O ' ' A' ' 43' ' ' ASN . 8.1 tmtt? -74.33 8.73 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 1.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 1.031 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.3 OUTLIER -89.7 80.84 6.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 110.007 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.876 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -40.14 -62.11 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.615 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -40.0 -71.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 110.965 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.506 ' O ' ' HB2' ' A' ' 53' ' ' LEU . . . -54.17 -50.91 53.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 1.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.564 ' O ' ' N ' ' A' ' 53' ' ' LEU . 2.4 t -61.79 -51.31 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 1.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.876 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.1 mmm -36.42 -62.92 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 1.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.4 p -67.07 -21.82 65.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 109.962 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.748 ' CD1' ' HB3' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -92.75 -97.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 1.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.495 ' H ' ' HB3' ' A' ' 53' ' ' LEU . . . 57.13 159.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 1.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.662 HG11 ' CE2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -135.92 -169.7 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 1.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.767 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 163.71 -100.75 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 1.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.746 ' O ' ' N ' ' A' ' 59' ' ' SER . 4.8 pt20 -36.72 90.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 1.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.828 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 36.31 17.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.496 1.122 . . . . 1.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.746 ' N ' ' O ' ' A' ' 57' ' ' GLN . 5.8 m -56.51 132.85 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 0.782 . . . . 1.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.83 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 3.5 p-10 -96.96 145.86 25.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.812 ' O ' ' O ' ' A' ' 6' ' ' PHE . 26.2 m -146.96 177.74 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.938 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -133.26 132.66 41.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.641 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -104.54 157.47 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 1.123 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.1 m -136.62 140.95 43.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 70' ' ' GLU . 4.9 p -140.54 125.04 18.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 1.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -146.39 124.09 11.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.716 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 143.59 -149.7 21.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.443 1.09 . . . . 1.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.515 ' N ' ' HB3' ' A' ' 31' ' ' SER . . . -81.34 -48.66 11.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 1.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.689 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -63.13 -25.64 68.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 1.067 ' O ' ' HG3' ' A' ' 74' ' ' MET . 0.4 OUTLIER -4.93 -71.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 110.33 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -56.38 -75.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -45.35 -48.67 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 1.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.693 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -46.42 -80.51 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 1.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 1.067 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 2.2 ppp? -50.27 -42.62 52.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 1.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.601 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -40.29 -57.98 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.518 ' HB3' ' CG2' ' A' ' 25' ' ' THR . . . -56.8 -60.77 3.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 1.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 78' ' ' VAL . 0.4 OUTLIER -44.6 -59.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 1.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.636 HG21 ' O ' ' A' ' 74' ' ' MET . 4.2 t -49.78 -60.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.928 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -53.58 -49.65 67.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 1.0 110.243 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.562 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -59.1 -44.37 91.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 1.0 110.397 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.607 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -47.47 -49.72 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 1.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.624 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -92.57 -13.97 28.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.928 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -80.76 -39.48 26.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 80' ' ' THR . 5.4 mm-40 -95.98 12.9 28.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.508 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 56.9 13.5 8.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 1.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.975 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 3.0 mt -73.15 -42.12 63.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.863 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -142.02 163.7 32.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.23 175.35 6.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 1.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.428 ' N ' ' HG2' ' A' ' 82' ' ' GLN . 2.0 tt0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.877 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 3.5 mmt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.502 0.192 . . . . 1.0 110.957 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.561 ' O ' HG13 ' A' ' 65' ' ' VAL . 5.4 mt-10 -112.79 129.34 56.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 1.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.81 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -111.67 150.46 30.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 1.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.808 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 37.0 tptt -141.38 113.97 8.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 1.0 109.237 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.672 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.2 mp0 -84.43 154.33 22.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.954 ' O ' ' O ' ' A' ' 61' ' ' VAL . 66.1 m-85 -160.04 -177.69 6.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 1.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 1.005 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -143.41 138.33 29.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 1.0 109.566 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.825 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.7 mm -64.69 121.88 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.582 HG11 ' CD2' ' A' ' 7' ' ' HIS . 15.4 m -116.56 4.02 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 1.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -81.43 -19.16 43.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 1.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 13.8 pt-20 45.48 18.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 1.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.783 HG23 ' HG3' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -80.63 -63.69 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.0 110.37 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.795 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 142.77 21.25 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 1.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.66 ' CD1' ' CD2' ' A' ' 86' ' ' LEU . 0.5 OUTLIER 35.94 71.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 1.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.82 ' O ' ' N ' ' A' ' 19' ' ' ALA . 2.6 p80 -98.1 178.94 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 1.0 109.601 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.904 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.15 -34.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 1.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.865 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -67.22 -73.01 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 1.0 110.335 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.865 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -75.04 -27.49 9.91 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.494 1.786 . . . . 1.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.82 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -60.77 -48.83 80.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 1.15 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.31 -39.75 65.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 1.0 110.395 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.605 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -40.17 -57.18 1.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.8 OUTLIER -67.82 -65.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.15 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 3.0 p -45.67 -53.17 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 1.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.759 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -50.76 -37.62 43.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.334 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.774 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -84.05 -25.66 29.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 110.416 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.684 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -85.71 -36.19 20.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.699 ' N ' ' O ' ' A' ' 23' ' ' VAL . 8.8 p -93.51 45.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 110.045 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.754 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -147.98 23.94 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.774 ' CZ ' ' O ' ' A' ' 25' ' ' THR . 22.4 m-85 -117.62 135.92 53.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -59.24 -12.08 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.681 ' HB2' ' HA3' ' A' ' 67' ' ' GLY . 89.7 p -108.23 -176.16 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 1.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.803 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -87.76 154.91 20.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 1.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 1.001 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -176.97 115.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.696 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -128.91 179.16 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 1.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.613 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -119.83 142.0 49.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.838 ' O ' ' N ' ' A' ' 62' ' ' THR . 11.0 tm-20 -123.02 113.11 18.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 1.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.809 ' O ' ' N ' ' A' ' 39' ' ' GLY . 5.8 t80 -111.07 171.06 7.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 1.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.608 ' N ' ' CG ' ' A' ' 37' ' ' TYR . 19.4 mtpt -57.19 55.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 1.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.809 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -166.31 -43.23 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 1.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.566 ' NZ ' ' HB2' ' A' ' 53' ' ' LEU . 0.0 OUTLIER 172.25 -176.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 1.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.593 ' HB3' ' CG ' ' A' ' 36' ' ' GLU . 10.1 p -129.42 124.27 33.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 1.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.772 ' O ' ' N ' ' A' ' 44' ' ' LEU . 4.5 m -145.94 152.12 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 1.196 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.2 m120 -47.61 75.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 1.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.772 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -0.12 -45.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 1.0 109.293 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 1.196 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -68.57 2.97 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.844 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.3 t -87.27 83.31 7.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 1.0 109.972 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.824 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -40.2 -58.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 1.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.577 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -39.88 -74.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 110.976 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.505 ' HA3' HG22 ' A' ' 42' ' ' VAL . . . -54.28 -43.91 75.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.577 ' HB ' ' O ' ' A' ' 46' ' ' SER . 1.2 t -63.02 -49.76 82.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 0.76 . . . . 1.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.824 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -42.06 -59.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.24 -11.43 60.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 1.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.644 ' CD1' ' HB3' ' A' ' 37' ' ' TYR . 5.0 tt -92.2 -94.94 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 1.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.547 ' N ' ' CD2' ' A' ' 53' ' ' LEU . . . 58.42 127.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 1.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.702 ' CG1' ' CD1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -125.4 -175.22 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 1.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.795 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 157.86 -83.9 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 1.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.662 ' CG ' ' O ' ' A' ' 57' ' ' GLN . 5.2 pt20 -46.36 81.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 1.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.961 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 46.08 9.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 1.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.659 ' O ' ' N ' ' A' ' 8' ' ' ILE . 5.7 m -49.2 132.21 19.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 1.0 110.016 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.8 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 13.6 p-10 -96.43 147.76 23.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.954 ' O ' ' O ' ' A' ' 6' ' ' PHE . 34.9 m -149.71 174.02 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 1.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.838 ' N ' ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -132.49 123.13 26.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 1.0 110.358 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.583 HG12 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -95.37 144.13 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 1.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 1.001 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.7 m -130.0 140.23 50.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.795 HG13 ' O ' ' A' ' 65' ' ' VAL . 6.6 p -130.29 112.11 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 1.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.877 ' HA ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -121.09 123.92 43.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.681 ' HA3' ' HB2' ' A' ' 31' ' ' SER . . . 130.53 -163.96 23.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 1.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -66.02 -65.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 1.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.688 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -39.36 -29.65 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.688 ' C ' ' O ' ' A' ' 69' ' ' ASP . 8.3 mt-10 -3.0 -73.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 1.0 110.335 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -55.69 -72.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 1.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -47.86 -49.95 27.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 1.0 110.286 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.721 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -46.24 -79.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.151 . . . . 1.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.684 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -55.16 -32.53 62.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 1.0 111.012 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.48 ' N ' ' HE2' ' A' ' 74' ' ' MET . . . -47.12 -54.95 9.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 1.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.601 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -62.85 -59.07 5.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.652 HG22 ' N ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -46.91 -55.33 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 1.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.684 ' CG2' ' O ' ' A' ' 74' ' ' MET . 21.8 t -53.43 -60.84 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.932 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.34 -45.55 69.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.601 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -62.67 -48.99 76.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 1.0 110.401 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.629 HD13 ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -45.0 -43.55 9.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.359 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -96.01 -17.06 21.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 1.0 110.334 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.932 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.4 -39.69 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 4.8 mm-40 -97.31 20.16 11.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 1.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 44.78 26.17 1.07 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.149 . . . . 1.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.825 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 5.5 mt -90.18 -7.3 53.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 0.761 . . . . 1.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 1.005 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -170.01 159.13 7.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 1.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -95.54 -175.98 3.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 1.0 110.292 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 110.313 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.876 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 8.1 mtt . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.484 0.183 . . . . 1.0 110.977 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 65' ' ' VAL . 23.7 mt-10 -148.64 175.88 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.813 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.9 157.75 30.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.83 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 49.9 tptt -139.03 114.68 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.669 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 0.5 OUTLIER -87.28 150.47 23.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 110.267 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.851 ' O ' ' O ' ' A' ' 61' ' ' VAL . 54.1 m-85 -148.85 -175.65 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 1.06 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -151.97 137.67 17.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 109.624 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.96 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.8 mm -65.65 125.01 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.655 HG13 ' CD2' ' A' ' 7' ' ' HIS . 15.8 m -123.24 14.36 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -102.32 -17.25 15.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.488 ' HA ' ' O ' ' A' ' 56' ' ' GLY . 8.7 pt-20 47.21 17.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 1.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.673 HG21 ' N ' ' A' ' 13' ' ' GLY . 1.3 t -71.31 -61.36 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 1.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.719 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 134.57 34.77 0.27 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 1.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.594 HG12 HG21 ' A' ' 55' ' ' VAL . 0.8 OUTLIER 29.96 75.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 1.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.866 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 2.5 p80 -98.42 172.95 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 1.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.867 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.15 -32.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 1.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.91 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -64.1 -76.12 0.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 1.0 110.304 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.91 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -75.06 -26.7 10.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 1.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.753 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -61.15 -49.33 77.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 1.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 1.069 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.34 -41.48 63.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 1.0 110.359 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.67 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 3.4 tt -39.92 -54.78 2.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -68.42 -65.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 1.0 109.339 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.069 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 2.6 p -46.84 -51.95 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 1.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.784 ' N ' ' O ' ' A' ' 20' ' ' THR . 2.7 pt20 -51.24 -38.03 50.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.781 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -86.42 -34.69 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 1.0 110.462 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.755 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -79.46 -29.42 41.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 1.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.795 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -97.5 47.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 1.0 109.974 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.765 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -154.56 23.9 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 1.0 109.248 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.781 ' CE2' ' O ' ' A' ' 25' ' ' THR . 22.7 m-85 -120.15 135.11 55.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -66.11 -5.27 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 1.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.654 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -94.83 178.24 5.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 1.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.871 ' N ' ' O ' ' A' ' 66' ' ' ASP . 63.7 m-20 -96.53 88.02 4.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 1.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 1.055 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -110.27 127.08 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.592 ' O ' HG13 ' A' ' 63' ' ' ILE . 27.6 m-20 -140.48 176.29 8.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 1.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.605 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.92 145.15 45.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 1.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 1.077 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -130.51 112.44 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 1.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.843 ' CD2' ' CD2' ' A' ' 53' ' ' LEU . 1.1 t80 -113.68 124.71 52.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 1.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.692 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER 61.76 16.57 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 103.43 11.49 33.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.092 . . . . 1.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 1.077 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -100.9 96.07 7.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 0.749 . . . . 1.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 3.7 p -97.99 107.33 19.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.0 109.948 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.634 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -145.96 143.25 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.981 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.3 m120 -41.36 88.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 1.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.64 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -18.39 -39.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.875 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -66.16 0.95 1.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 1.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.981 ' N ' ' O ' ' A' ' 43' ' ' ASN . 8.3 t -86.95 67.44 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.762 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.3 tp -39.81 -44.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 1.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.411 ' N ' HG21 ' A' ' 47' ' ' ILE . 13.3 ttp -47.12 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 1.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -53.06 -42.69 61.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 1.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.566 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.1 t -63.06 -57.45 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 1.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.762 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -38.14 -58.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 110.985 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.4 p -55.36 -30.47 60.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 1.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.863 HD13 ' CB ' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -94.82 -88.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 1.0 109.259 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 50' ' ' VAL . . . 60.1 133.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 1.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.711 HG11 ' CZ ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -111.12 -175.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 1.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.719 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 162.84 -89.32 0.11 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 1.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.767 ' O ' ' N ' ' A' ' 59' ' ' SER . 7.0 pt20 -43.23 90.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 0.816 . . . . 1.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.799 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 35.94 16.58 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 1.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.767 ' N ' ' O ' ' A' ' 57' ' ' GLN . 11.7 m -53.84 172.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 1.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.758 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 17.7 p-10 -133.5 146.65 51.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 1.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.851 ' O ' ' O ' ' A' ' 6' ' ' PHE . 27.5 m -148.1 176.79 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 1.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.95 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -136.14 135.7 39.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 1.0 110.42 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.592 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -106.97 156.4 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 1.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 1.055 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -137.4 149.58 47.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 1.0 110.415 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.724 HG13 ' HG2' ' A' ' 74' ' ' MET . 0.3 OUTLIER -142.32 118.08 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 1.0 109.258 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.876 ' HA ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -139.07 121.11 15.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.59 ' O ' ' CG ' ' A' ' 70' ' ' GLU . . . 142.68 -133.32 5.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 1.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.654 ' N ' ' HG ' ' A' ' 31' ' ' SER . . . -94.5 -60.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 1.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -42.58 -47.67 5.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.598 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 0.0 OUTLIER 21.06 -86.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 1.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.626 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -51.5 -68.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -50.37 -48.7 55.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 1.0 110.312 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.731 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -48.17 -79.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.724 ' HG2' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -56.39 -32.31 64.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 1.0 110.975 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.586 ' CB ' ' O ' ' A' ' 71' ' ' ALA . . . -46.82 -55.18 8.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.566 ' HB1' ' CG2' ' A' ' 25' ' ' THR . . . -61.39 -54.38 44.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 1.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.544 ' O ' HD21 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -47.93 -58.23 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.605 ' CG2' ' O ' ' A' ' 74' ' ' MET . 10.7 t -48.87 -60.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 1.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.979 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.75 -38.39 64.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 1.0 110.321 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.678 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -69.57 -57.21 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 1.0 110.382 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.636 ' CD1' ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -38.02 -42.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.583 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -95.65 -18.65 20.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 1.0 110.27 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.979 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -72.7 -32.32 65.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 1.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.584 ' HG3' ' O ' ' A' ' 80' ' ' THR . 0.0 OUTLIER -104.52 16.62 25.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.444 ' O ' ' HB1' ' A' ' 10' ' ' ALA . . . 47.56 19.09 0.72 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 1.0 111.009 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.96 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 1.4 tp -91.04 1.1 57.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 1.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 1.06 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -174.16 156.12 2.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 1.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -60.39 -175.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 1.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 1.0 110.284 -179.941 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 1.081 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 14.0 mtp . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.532 0.206 . . . . 1.0 111.003 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 65' ' ' VAL . 18.4 mt-10 -149.88 -177.02 5.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 1.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.746 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -123.58 145.6 48.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.802 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 35.8 tptt -124.94 110.82 14.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 1.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.711 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 3.3 mp0 -84.34 143.13 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.993 ' O ' ' O ' ' A' ' 61' ' ' VAL . 23.4 m-85 -146.52 178.14 8.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 1.0 111.046 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 1.06 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -139.94 135.39 32.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 1.0 109.571 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.704 ' N ' ' O ' ' A' ' 59' ' ' SER . 3.5 mm -62.92 125.95 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 1.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.626 HG12 ' CD2' ' A' ' 7' ' ' HIS . 13.1 m -122.86 4.87 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -88.96 -15.29 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 1.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 12.9 pt-20 44.72 17.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 110.261 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.567 ' OG1' ' NE2' ' A' ' 15' ' ' HIS . 6.5 t -70.78 -56.85 5.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 1.0 110.393 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.829 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 132.87 18.6 1.08 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 1.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.603 ' HB ' ' O ' ' A' ' 55' ' ' VAL . 0.4 OUTLIER 37.08 65.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 1.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.941 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.3 p80 -95.5 179.08 5.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.617 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.837 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -41.16 -33.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 1.011 ' HB2' ' HD3' ' A' ' 18' ' ' PRO . 4.1 mmm180 -69.58 -70.39 0.35 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 1.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 1.011 ' HD3' ' HB2' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -74.99 -27.69 9.82 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 1.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.856 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -61.16 -49.54 76.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 1.141 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -71.71 -39.92 69.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 1.0 110.387 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.597 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.1 tt -39.86 -58.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 1.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.537 ' CD2' ' O ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -67.75 -65.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.141 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 4.6 p -45.81 -53.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.779 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.0 OUTLIER -49.78 -38.19 33.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 110.299 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.847 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.93 -26.6 27.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 1.0 110.408 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.747 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -86.96 -34.34 19.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 1.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.8 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -91.92 43.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 1.0 110.015 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.859 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.28 21.11 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 1.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.859 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 21.3 m-85 -117.24 142.84 46.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -72.62 -1.28 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 1.0 109.216 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.621 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -100.25 178.12 4.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 1.0 110.036 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.808 ' N ' ' O ' ' A' ' 66' ' ' ASP . 16.3 m-20 -96.12 88.47 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 1.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 1.031 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -110.69 128.28 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 1.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.569 ' O ' HG13 ' A' ' 63' ' ' ILE . 20.0 m-20 -138.39 176.56 8.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 1.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.632 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -120.46 139.58 52.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 1.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.914 ' O ' ' N ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -125.22 120.29 30.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 1.0 110.275 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.74 ' CD2' ' CD2' ' A' ' 53' ' ' LEU . 2.4 t80 -123.7 125.13 44.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 1.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.638 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 13.7 mtpt 73.71 -2.24 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 118.66 -1.33 15.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 1.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.83 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 13.6 tttt -97.26 108.84 21.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 1.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.646 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 2.9 t -103.58 118.78 37.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 1.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.629 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -146.34 142.78 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 1.0 109.221 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.968 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.6 m120 -42.64 87.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 1.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.633 ' C ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -18.73 -37.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 109.286 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.911 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -65.91 -2.37 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 1.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.968 ' N ' ' O ' ' A' ' 43' ' ' ASN . 30.3 t -87.09 68.87 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.795 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.3 tp -39.95 -55.06 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 1.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.534 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 8.8 ttp -40.0 -73.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 1.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.746 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -56.74 -51.85 54.33 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.442 1.089 . . . . 1.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -55.82 -51.8 55.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 1.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.795 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -42.28 -52.32 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 1.0 111.034 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -25.61 68.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 1.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.74 ' CD2' ' CD2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -92.36 -86.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 1.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.652 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 55.35 146.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 1.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.643 HG11 ' CG ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -127.9 -171.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 1.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.829 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 160.23 -94.89 0.13 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.14 . . . . 1.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.658 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.7 mt-30 -39.45 85.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 1.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.873 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 41.72 12.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 1.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.704 ' O ' ' N ' ' A' ' 8' ' ' ILE . 5.1 m -54.24 138.58 38.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 1.0 109.985 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.76 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 6.9 p-10 -100.85 148.48 24.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 1.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.993 ' O ' ' O ' ' A' ' 6' ' ' PHE . 30.8 m -148.3 -178.6 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 1.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.914 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -137.28 131.56 32.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 110.399 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.612 ' O ' ' N ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -102.77 152.76 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 1.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 1.031 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 m -135.68 148.51 48.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 1.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.628 ' CG1' ' HG2' ' A' ' 74' ' ' MET . 4.5 p -146.96 120.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 1.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 1.081 ' HA ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -140.59 120.71 13.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.552 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 146.54 -143.96 12.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 1.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.621 ' N ' ' HG ' ' A' ' 31' ' ' SER . . . -88.9 -48.42 7.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 0.745 . . . . 1.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.655 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -55.04 -37.33 66.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 1.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.655 ' C ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER 11.58 -88.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 110.349 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.621 ' O ' ' CB ' ' A' ' 75' ' ' ALA . . . -48.62 -70.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 1.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 69' ' ' ASP . 2.1 tp10 -45.67 -52.07 11.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 1.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.763 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -50.29 -80.24 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.156 . . . . 1.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.669 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -52.72 -33.97 50.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 0.729 . . . . 1.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 71' ' ' ALA . . . -45.75 -58.79 3.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 1.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.589 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -57.49 -57.15 13.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 1.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.632 ' O ' HD22 ' A' ' 81' ' ' LEU . 0.5 OUTLIER -48.19 -56.41 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.669 ' CG2' ' O ' ' A' ' 74' ' ' MET . 14.1 t -51.14 -60.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.895 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -54.18 -48.15 71.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 1.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.589 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -60.32 -52.21 66.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 1.0 110.379 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.632 HD22 ' O ' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -42.6 -44.04 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 109.357 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.511 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -95.61 -18.99 20.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 1.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.895 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -79.34 -43.21 23.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.556 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 6.3 mm-40 -91.74 13.19 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 1.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.561 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 53.12 16.13 4.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.423 1.077 . . . . 1.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.652 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 7.5 mt -83.68 3.57 32.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 1.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 1.06 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -177.34 160.81 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 1.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.55 175.91 5.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 1.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 1.0 110.331 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.487 ' H ' ' HA ' ' A' ' 66' ' ' ASP . 5.9 mtt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.499 0.19 . . . . 1.0 110.974 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 65' ' ' VAL . 40.6 mt-10 -148.63 179.31 7.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 1.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.771 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -122.48 160.54 25.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 1.0 109.303 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.796 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.0 tptt -142.54 113.73 7.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 1.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.634 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 2.4 mp0 -90.04 151.32 21.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 1.0 110.34 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.988 ' O ' ' O ' ' A' ' 61' ' ' VAL . 44.5 m-85 -149.05 -177.8 6.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 1.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.948 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -144.47 137.85 27.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 1.0 109.596 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 1.186 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.2 mm -62.05 125.43 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 1.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.631 HG12 ' CD2' ' A' ' 7' ' ' HIS . 15.8 m -125.83 2.19 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 1.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.632 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -84.17 -18.2 37.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 12.2 pt-20 47.0 14.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.639 ' CG2' ' N ' ' A' ' 13' ' ' GLY . 1.3 t -74.84 -60.05 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 1.0 110.449 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.728 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 140.04 17.94 0.45 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 1.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.668 ' CD1' ' N ' ' A' ' 14' ' ' ILE . 0.3 OUTLIER 46.91 74.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 1.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.878 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 2.4 p80 -100.93 172.12 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.633 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.923 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.0 -32.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.924 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -62.52 -76.43 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 1.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.924 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -75.0 -27.53 9.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 1.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.712 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . -63.66 -48.76 75.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 1.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 1.093 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -74.3 -40.15 62.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 1.0 110.397 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.674 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 3.2 tt -40.98 -53.14 3.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 1.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.9 OUTLIER -69.68 -65.35 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 1.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.093 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 3.0 p -47.44 -50.71 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 1.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.777 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -52.44 -38.91 60.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 1.0 110.296 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.734 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -83.79 -33.46 24.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 1.0 110.37 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.766 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -79.39 -33.27 42.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.763 ' N ' ' O ' ' A' ' 23' ' ' VAL . 25.7 p -91.9 49.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 110.024 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.746 ' CD ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -157.99 24.49 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 1.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.746 ' CE1' ' CD ' ' A' ' 28' ' ' LYS . 22.6 m-85 -120.85 136.17 54.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -67.51 -4.3 11.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 1.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.603 ' HG ' ' N ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -93.17 178.0 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 1.0 110.016 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.815 ' N ' ' O ' ' A' ' 66' ' ' ASP . 22.5 m-20 -95.3 76.66 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 1.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 1.036 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -100.21 128.19 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 1.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.672 ' O ' HG13 ' A' ' 63' ' ' ILE . 27.9 m-20 -136.74 175.72 9.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 1.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.753 ' CD1' ' CD1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -121.09 144.89 48.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 1.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 1.013 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -126.48 98.18 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 110.322 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.857 ' CD1' ' CG1' ' A' ' 61' ' ' VAL . 5.9 m-30 -104.88 145.29 30.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.568 ' HG3' ' CD2' ' A' ' 53' ' ' LEU . 17.3 mtmt 50.85 20.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 1.0 109.322 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 37' ' ' TYR . . . 87.61 37.31 8.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 1.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 1.013 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -135.86 109.4 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 1.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.631 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 1.1 p -95.58 114.69 26.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.0 109.991 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.663 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -145.88 142.73 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 1.0 109.326 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.95 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.3 m120 -40.06 86.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.705 ' HG ' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -19.72 -39.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 1.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.831 ' N ' ' O ' ' A' ' 43' ' ' ASN . 5.6 ttmt -62.46 -3.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.95 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.4 t -87.4 61.77 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 1.0 110.054 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.837 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.4 tp -40.07 -49.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 1.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.463 ' HE2' ' N ' ' A' ' 49' ' ' GLY . 9.4 ttp -41.38 -75.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.463 ' N ' ' HE2' ' A' ' 48' ' ' MET . . . -53.2 -45.91 63.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 1.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.559 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.1 t -62.97 -49.88 81.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.837 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -41.04 -58.68 1.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 1.0 111.025 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 p -62.08 -17.72 58.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.615 HD13 ' CD ' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -93.14 -91.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 1.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 56.36 150.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.573 1.17 . . . . 1.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.776 HG21 ' CD2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -134.36 -174.85 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 1.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.882 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . 170.33 -80.35 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 1.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.693 ' C ' ' H ' ' A' ' 59' ' ' SER . 4.4 pt20 -40.0 72.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 1.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.948 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 45.89 5.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.14 . . . . 1.0 111.045 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.693 ' H ' ' C ' ' A' ' 57' ' ' GLN . 75.5 m -41.27 165.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 1.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.654 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.2 p30 -111.89 158.1 19.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 1.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.988 ' O ' ' O ' ' A' ' 6' ' ' PHE . 30.3 m -150.97 178.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.862 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -148.95 139.1 22.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 1.0 110.433 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.672 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.1 OUTLIER -116.06 157.3 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 1.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 1.036 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.8 m -139.72 148.27 42.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 110.452 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.732 HG13 ' O ' ' A' ' 65' ' ' VAL . 4.9 p -143.73 107.27 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.815 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -129.42 120.58 25.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.648 ' O ' ' CD ' ' A' ' 70' ' ' GLU . . . 146.14 -129.98 3.56 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 1.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.587 ' N ' ' HG ' ' A' ' 31' ' ' SER . . . -97.41 -67.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 1.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.652 ' O ' ' N ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -36.67 -37.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 1.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.679 ' O ' HG21 ' A' ' 65' ' ' VAL . 3.7 mt-10 15.79 -82.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 1.0 110.349 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.652 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -55.28 -73.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -43.61 -51.03 7.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 1.0 110.257 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.708 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -48.58 -78.8 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 1.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.637 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.84 -31.67 64.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 1.0 110.924 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 71' ' ' ALA . . . -47.4 -56.98 5.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 1.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.513 ' HB2' ' CG2' ' A' ' 25' ' ' THR . . . -60.95 -56.07 25.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 1.0 109.346 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.564 HG21 HG12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.35 -58.17 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.637 ' CG2' ' O ' ' A' ' 74' ' ' MET . 20.2 t -48.43 -61.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 1.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.929 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -53.74 -37.53 63.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.0 110.345 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.665 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -69.49 -56.14 8.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 1.0 110.405 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.666 HD13 ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -39.06 -42.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 1.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.607 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -95.68 -16.16 22.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.929 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -76.98 -37.36 55.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 1.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.64 ' CD ' ' O ' ' A' ' 80' ' ' THR . 0.0 OUTLIER -93.62 3.94 54.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.632 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 60.87 4.82 4.69 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 1.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 1.186 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 1.5 tt -74.13 -15.11 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 1.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.947 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -156.35 164.57 38.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 1.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.476 ' HG2' ' CG1' ' A' ' 9' ' ' VAL . 15.2 mt-10 -72.7 -168.31 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 1.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 1.0 110.284 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 1.143 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 3.1 mtm . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.494 0.188 . . . . 1.0 110.989 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -148.0 170.84 16.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 1.0 110.259 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.755 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.7 150.7 41.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 1.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.812 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.0 tptt -133.21 112.9 12.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.669 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 0.9 OUTLIER -85.09 156.39 21.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 1.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.812 ' CZ ' ' CG ' ' A' ' 4' ' ' LYS . 69.9 m-85 -155.8 -176.28 5.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.931 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -146.03 136.43 23.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 1.0 109.557 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 1.059 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 2.9 mm -64.43 124.02 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 1.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.645 HG13 ' CD2' ' A' ' 7' ' ' HIS . 14.1 m -121.22 2.38 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 1.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -86.95 -16.45 35.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 7.8 pt-20 46.43 15.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 1.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.566 ' CG2' ' N ' ' A' ' 13' ' ' GLY . 6.6 t -67.94 -57.36 6.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 1.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.798 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 135.88 12.2 1.18 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.477 1.111 . . . . 1.0 111.037 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.678 ' CD1' ' N ' ' A' ' 14' ' ' ILE . 0.3 OUTLIER 44.06 68.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.415 0.715 . . . . 1.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.866 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.5 p80 -97.84 176.92 5.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 1.0 109.592 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.74 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.5 -35.2 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.864 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.91 -72.52 0.27 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 1.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.866 ' HD3' ' CE1' ' A' ' 15' ' ' HIS . 18.3 Cg_endo -74.99 -31.39 6.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 1.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.932 ' O ' HG11 ' A' ' 23' ' ' VAL . . . -56.83 -53.71 54.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.839 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -72.34 -35.1 68.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 1.0 110.379 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.642 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.8 tt -39.88 -51.67 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 1.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -73.63 -51.76 15.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.932 HG11 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -57.39 -44.83 85.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 1.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.839 ' N ' ' O ' ' A' ' 20' ' ' THR . 6.7 pt20 -58.45 -39.37 79.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 1.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.767 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.69 -28.23 26.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 1.0 110.348 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.783 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -83.91 -35.61 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 1.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.718 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -91.76 45.59 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 1.0 110.002 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.811 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -149.49 21.05 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.811 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 22.4 m-85 -118.08 137.38 52.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 1.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -63.1 -5.76 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 1.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.613 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -98.11 174.2 6.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 110.029 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.871 ' N ' ' O ' ' A' ' 66' ' ' ASP . 3.2 m-20 -95.17 92.88 7.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 1.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 1.064 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -114.52 127.67 71.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 1.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.577 ' O ' HG13 ' A' ' 63' ' ' ILE . 36.0 m-20 -138.04 176.19 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 1.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.625 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -118.74 143.2 47.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 1.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.954 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -128.41 112.95 14.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 1.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.733 ' CD2' ' CD2' ' A' ' 53' ' ' LEU . 1.3 t80 -114.16 123.35 49.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 1.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.676 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 16.5 mtmt 73.38 -1.3 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 1.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.64 -2.42 13.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 1.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.954 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -93.63 107.4 19.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 1.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.664 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 3.1 p -102.39 114.36 28.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 1.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.655 ' O ' ' N ' ' A' ' 44' ' ' LEU . 4.3 m -145.51 145.4 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 1.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 1.006 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.9 m-20 -41.94 86.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 1.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.655 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -17.45 -41.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.863 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -66.49 1.55 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 1.006 ' N ' ' O ' ' A' ' 43' ' ' ASN . 6.0 t -88.53 68.6 8.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 1.0 109.949 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.855 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -40.05 -51.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.26 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.478 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 12.6 ttp -40.01 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 1.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.537 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -54.75 -47.49 71.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 1.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.1 t -60.06 -53.33 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 1.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.855 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.3 tpp -39.7 -54.48 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.2 p -58.93 -26.48 64.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.733 ' CD2' ' CD2' ' A' ' 37' ' ' TYR . 1.8 mt -92.74 -87.34 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 1.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.42 125.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 1.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.613 HG13 ' CZ ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -108.91 -173.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 1.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.798 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 159.62 -92.15 0.12 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 1.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.679 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.2 mt-30 -36.56 81.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 1.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.931 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 41.69 11.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.097 . . . . 1.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.679 ' N ' ' O ' ' A' ' 57' ' ' GLN . 13.0 m -47.63 173.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 1.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.845 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.5 p30 -135.05 146.05 48.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 1.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.769 ' O ' ' O ' ' A' ' 6' ' ' PHE . 27.7 m -148.02 173.55 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.868 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -126.94 146.82 50.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 1.0 110.386 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.58 ' O ' ' N ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -118.17 154.32 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 1.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 1.064 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -137.95 149.43 46.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 1.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.654 HG21 ' O ' ' A' ' 70' ' ' GLU . 5.9 p -143.97 123.03 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 1.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 1.143 ' HA ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -138.24 123.94 19.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.596 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 140.56 -142.31 12.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 1.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.613 ' N ' ' HG ' ' A' ' 31' ' ' SER . . . -92.13 -47.56 7.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 1.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.687 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -56.23 -26.76 52.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 1.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.687 ' C ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER 0.79 -79.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 1.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.541 ' O ' ' CB ' ' A' ' 75' ' ' ALA . . . -55.36 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 1.0 109.342 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -41.66 -51.04 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 1.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.787 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -50.07 -81.03 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 1.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.693 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.1 OUTLIER -53.84 -32.91 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 1.0 110.962 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 71' ' ' ALA . . . -47.17 -58.46 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.559 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -57.21 -57.02 14.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.58 HG23 ' N ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -46.57 -57.19 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 1.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.693 ' CG2' ' O ' ' A' ' 74' ' ' MET . 9.7 t -50.06 -59.92 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 1.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.93 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -55.66 -46.83 77.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -60.12 -45.1 94.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 1.0 110.414 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.618 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.39 -47.12 37.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 1.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.531 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 3.7 pt20 -94.5 -11.61 29.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 1.0 110.321 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.93 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -84.38 -39.9 18.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 1.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.529 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 10.2 mm-40 -92.66 7.94 41.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 1.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 61.38 6.83 8.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 1.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 1.059 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.6 mt -67.45 -41.35 84.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 1.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.893 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -138.6 176.24 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.436 ' C ' ' HB3' ' A' ' 82' ' ' GLN . 18.2 mt-10 -80.02 -170.68 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 1.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.424 ' CG ' ' HB3' ' A' ' 66' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.476 0.179 . . . . 1.0 111.009 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.479 ' O ' HG11 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -98.28 97.68 9.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 1.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.787 ' HA ' ' HA ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -96.63 147.55 23.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.802 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.8 tptt -140.39 114.57 9.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 1.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.665 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 4.4 mp0 -83.46 160.05 21.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 110.358 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.811 ' O ' ' O ' ' A' ' 61' ' ' VAL . 76.4 m-85 -160.31 -176.46 5.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 1.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.924 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -147.97 135.62 20.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.593 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.898 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -63.63 125.73 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.627 ' N ' ' O ' ' A' ' 86' ' ' LEU . 17.3 m -122.23 1.78 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 1.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' CB ' ' HA ' ' A' ' 86' ' ' LEU . . . -88.51 -15.98 33.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 1.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 10.5 pt-20 45.52 17.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 110.276 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.578 ' OG1' ' NE2' ' A' ' 15' ' ' HIS . 7.4 t -67.2 -54.89 16.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 1.0 110.424 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.748 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 133.46 10.03 1.96 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.492 1.12 . . . . 1.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.733 ' CD1' ' N ' ' A' ' 14' ' ' ILE . 0.2 OUTLIER 46.7 65.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.569 0.805 . . . . 1.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.93 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.2 p80 -94.86 178.42 5.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 1.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.755 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -41.7 -33.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.977 ' HB2' ' HD3' ' A' ' 18' ' ' PRO . 7.8 mmm180 -67.82 -71.4 0.32 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.977 ' HD3' ' HB2' ' A' ' 17' ' ' ARG . 18.5 Cg_endo -74.93 -30.62 7.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 1.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.989 ' O ' HG11 ' A' ' 23' ' ' VAL . . . -57.79 -54.67 44.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 1.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.84 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -71.31 -35.58 71.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 110.387 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.66 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.6 tt -39.92 -52.11 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 1.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER -73.15 -53.0 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 1.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.989 HG11 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.42 -44.67 80.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.84 ' N ' ' O ' ' A' ' 20' ' ' THR . 4.8 pt20 -58.26 -39.12 78.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.752 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -85.26 -30.45 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 110.407 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.812 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.79 -31.55 23.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 1.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.781 ' N ' ' O ' ' A' ' 23' ' ' VAL . 2.3 p -93.08 42.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 1.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.804 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.18 21.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.274 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.804 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 21.7 m-85 -117.62 135.54 53.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 1.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -66.54 -4.49 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' A' ' 69' ' ' ASP . 14.5 m -97.99 177.67 5.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 110.028 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.834 ' N ' ' O ' ' A' ' 66' ' ' ASP . 1.1 m-20 -93.33 95.92 9.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 1.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 1.054 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -120.17 125.83 74.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 1.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.56 ' O ' HG13 ' A' ' 63' ' ' ILE . 20.8 m-20 -140.64 175.81 9.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 1.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.634 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -118.61 146.89 44.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 109.358 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.909 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -131.61 116.63 17.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 1.0 110.302 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.633 ' CD2' HD13 ' A' ' 53' ' ' LEU . 3.8 t80 -115.95 118.62 33.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 1.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.59 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 19.1 mtmt 71.02 5.36 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.348 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 36' ' ' GLU . . . 117.18 -7.82 16.33 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 1.0 111.03 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.909 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 4.1 tmmm? -85.93 101.1 12.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 1.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.607 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 2.6 t -101.73 115.31 30.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 1.0 110.004 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.682 ' O ' ' N ' ' A' ' 44' ' ' LEU . 5.8 m -147.88 144.17 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 1.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.976 ' O ' ' N ' ' A' ' 46' ' ' SER . 5.0 m-80 -41.54 85.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 1.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.682 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -15.34 -42.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.901 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -64.97 0.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 1.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.976 ' N ' ' O ' ' A' ' 43' ' ' ASN . 13.7 t -87.46 78.55 8.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 1.0 110.055 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.83 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -39.93 -56.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 1.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.564 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -40.82 -73.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 1.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.454 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -57.19 -41.34 92.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 1.0 110.99 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.62 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.7 OUTLIER -65.29 -57.01 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 1.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.83 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.3 tpp -40.09 -44.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 1.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.9 p -73.81 -25.4 60.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 1.0 109.965 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.682 ' HB3' ' CE ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -87.87 -60.19 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.622 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 17.82 104.42 0.0 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 1.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.687 ' O ' ' HB ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -94.32 -175.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 1.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.793 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . 167.75 -94.33 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 1.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.654 ' O ' ' N ' ' A' ' 59' ' ' SER . 8.5 pt20 -33.64 79.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.764 . . . . 1.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.924 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 44.55 8.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.5 1.125 . . . . 1.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.718 ' O ' ' N ' ' A' ' 8' ' ' ILE . 5.7 m -45.87 162.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.736 . . . . 1.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.839 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 3.9 p30 -125.49 147.08 49.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 1.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.811 ' O ' ' O ' ' A' ' 6' ' ' PHE . 30.0 m -147.01 174.53 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 1.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.904 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -130.05 135.95 48.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.0 110.392 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.577 HG12 HG23 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -107.26 157.52 7.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 1.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 1.054 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 m -138.77 145.53 40.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 1.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.783 ' O ' HG11 ' A' ' 65' ' ' VAL . 1.6 p -144.25 123.9 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.834 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -142.83 127.44 18.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.579 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 134.13 -151.55 20.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 1.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.551 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -77.91 -57.98 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.766 . . . . 1.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.671 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -54.42 -29.57 49.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 1.0 109.247 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.692 ' HA ' ' CG2' ' A' ' 65' ' ' VAL . 1.8 pp20? -10.05 -61.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 1.0 110.268 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.629 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -58.89 -75.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 1.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -50.8 -46.03 59.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.744 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -46.69 -77.89 0.09 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.446 1.091 . . . . 1.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.654 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.01 -33.55 64.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 0.808 . . . . 1.0 111.007 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.522 ' CA ' ' HE1' ' A' ' 74' ' ' MET . . . -47.55 -53.53 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 1.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.552 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -62.43 -59.23 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 1.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.577 HG23 HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -45.0 -57.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.654 ' CG2' ' O ' ' A' ' 74' ' ' MET . 15.2 t -50.51 -60.87 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 1.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.896 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -55.04 -49.79 70.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 110.245 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.552 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -58.49 -47.1 85.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 1.0 110.449 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.74 ' HB3' ' HB1' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -45.21 -48.0 12.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 1.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.567 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 6.0 pt20 -95.44 -12.51 25.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 1.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.896 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.53 -40.62 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 1.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.558 ' CB ' HD12 ' A' ' 21' ' ' LEU . 8.7 mm-40 -91.42 5.09 50.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 1.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.498 ' O ' ' CG2' ' A' ' 9' ' ' VAL . . . 67.69 -4.73 3.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.898 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.3 mt -53.78 -50.4 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 0.754 . . . . 1.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.786 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -130.84 174.7 9.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.74 179.74 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 1.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 1.0 110.296 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.596 ' H ' ' HA ' ' A' ' 66' ' ' ASP . 3.1 mmt . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.458 0.17 . . . . 1.0 110.982 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.443 ' O ' HG12 ' A' ' 65' ' ' VAL . 10.6 mt-10 -141.31 154.75 45.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.765 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.1 OUTLIER -115.57 142.87 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.805 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 39.1 tptt -124.9 109.91 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 1.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.648 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 3.0 mp0 -84.92 143.06 29.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 1.006 ' O ' ' O ' ' A' ' 61' ' ' VAL . 23.4 m-85 -145.4 -178.48 6.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.925 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -145.49 143.2 29.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.0 109.619 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.659 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 3.7 mm -73.25 107.4 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 1.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.998 ' N ' ' O ' ' A' ' 86' ' ' LEU . 14.9 m -93.24 10.45 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.617 ' HB1' ' O ' ' A' ' 85' ' ' GLY . . . -126.83 117.02 21.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 1.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 12' ' ' THR . 7.8 pt-20 -60.82 -3.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.707 ' CG2' ' N ' ' A' ' 13' ' ' GLY . 0.3 OUTLIER -31.56 -76.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 110.412 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.852 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 130.06 31.68 0.57 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 1.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.627 ' CD1' ' CD2' ' A' ' 86' ' ' LEU . 0.9 OUTLIER 31.2 73.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 1.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.82 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.4 p80 -97.14 174.88 6.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.585 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.719 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -39.92 -34.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.911 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -63.84 -75.59 0.13 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.911 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.04 -27.78 9.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 1.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.865 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -58.42 -52.96 63.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.847 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -73.71 -37.79 65.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 1.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.679 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 3.6 tt -39.94 -49.18 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 1.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.641 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.6 OUTLIER -74.05 -52.21 13.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.865 HG12 ' O ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -58.71 -44.8 90.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 1.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.847 ' N ' ' O ' ' A' ' 20' ' ' THR . 7.8 pt20 -57.96 -39.23 77.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.708 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -86.46 -34.58 20.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 110.423 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.849 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -73.43 -38.89 65.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 1.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -90.89 14.61 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.0 109.989 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.876 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -104.02 5.97 35.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 1.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.787 ' CE1' ' CD ' ' A' ' 28' ' ' LYS . 12.3 m-85 -109.31 165.21 11.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 1.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -94.28 0.81 55.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 1.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.555 ' HG ' ' N ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -95.88 177.88 5.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 1.0 110.003 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.8 ' N ' ' O ' ' A' ' 66' ' ' ASP . 15.3 m-20 -95.84 81.62 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 1.103 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -106.63 125.67 62.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.572 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 19.2 m-20 -138.08 178.0 7.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.625 ' CD1' ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.26 141.06 48.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 1.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.85 ' N ' ' O ' ' A' ' 62' ' ' THR . 30.4 tt0 -124.14 116.24 22.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 1.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.618 ' CE1' ' CG ' ' A' ' 38' ' ' LYS . 3.5 t80 -116.06 114.31 24.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 1.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.618 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 12.7 mtmt 70.35 5.03 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.447 ' C ' ' HG3' ' A' ' 36' ' ' GLU . . . 120.17 -7.73 11.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 1.0 111.016 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.84 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -86.34 98.04 10.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 1.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.612 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 3.8 p -102.23 111.16 23.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 110.036 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.731 ' O ' ' N ' ' A' ' 44' ' ' LEU . 4.3 m -144.3 147.08 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.0 109.363 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.986 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.1 m120 -42.41 81.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.731 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -12.87 -43.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 1.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.957 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.4 tttt -67.65 3.83 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 1.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.986 ' N ' ' O ' ' A' ' 43' ' ' ASN . 16.3 t -89.1 81.62 6.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 1.0 109.959 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.775 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -39.86 -56.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.551 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 10.3 ttp -41.39 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.455 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -54.75 -43.45 80.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 1.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.688 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.8 OUTLIER -61.7 -59.8 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 1.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.775 ' N ' ' O ' ' A' ' 47' ' ' ILE . 13.9 mmm -39.56 -42.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.0 p -76.02 -26.02 56.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 1.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.678 ' O ' ' O ' ' A' ' 54' ' ' GLY . 0.3 OUTLIER -90.83 -56.09 3.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 1.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.688 ' N ' ' O ' ' A' ' 50' ' ' VAL . . . 15.8 108.53 0.0 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.587 1.179 . . . . 1.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.612 ' CG1' ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -100.95 -175.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 1.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.852 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 164.96 -91.29 0.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.119 . . . . 1.0 111.047 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.669 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.6 mt-30 -35.56 83.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 1.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.751 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 40.06 15.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 1.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.669 ' N ' ' O ' ' A' ' 57' ' ' GLN . 4.0 m -51.73 172.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 1.0 110.04 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.701 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.7 p30 -136.18 145.26 45.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 1.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 1.006 ' O ' ' O ' ' A' ' 6' ' ' PHE . 26.9 m -147.15 177.45 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 1.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.85 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -132.67 133.36 43.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.0 110.391 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -102.69 153.61 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.238 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 1.103 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 m -139.63 148.83 43.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 1.0 110.44 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 65' ' ' VAL . 5.1 p -142.34 112.91 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.8 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -129.84 121.83 27.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 1.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.608 ' O ' ' CD ' ' A' ' 70' ' ' GLU . . . 143.55 -129.69 3.8 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.547 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . -98.83 -69.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.734 . . . . 1.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.675 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -37.94 -29.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 1.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.675 ' C ' ' O ' ' A' ' 69' ' ' ASP . 40.0 mt-10 8.36 -84.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -54.48 -70.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.54 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.8 OUTLIER -44.39 -50.61 9.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 1.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.772 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -49.4 -79.31 0.07 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.559 1.162 . . . . 1.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.673 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 0.0 OUTLIER -51.64 -33.84 35.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 1.0 110.957 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -46.6 -61.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 1.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.5 ' HB3' ' CG2' ' A' ' 25' ' ' THR . . . -53.6 -55.21 27.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 1.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.615 HG21 ' N ' ' A' ' 78' ' ' VAL . 0.2 OUTLIER -46.43 -55.44 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 1.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.673 ' CG2' ' O ' ' A' ' 74' ' ' MET . 4.6 t -51.26 -62.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.943 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -52.99 -37.09 61.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 110.344 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.683 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -70.02 -55.35 9.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 1.0 110.371 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.64 ' CD1' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -39.06 -42.71 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 1.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.534 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 2.6 pt20 -95.43 -17.55 21.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 110.341 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.943 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -73.91 -32.24 63.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.619 ' CD ' ' O ' ' A' ' 80' ' ' THR . 0.0 OUTLIER -97.74 8.06 45.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 1.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.617 ' O ' ' HB1' ' A' ' 10' ' ' ALA . . . 60.1 6.84 5.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.46 1.1 . . . . 1.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.998 ' O ' ' N ' ' A' ' 9' ' ' VAL . 1.8 tp -71.02 -59.24 2.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.925 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -116.06 164.85 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.443 ' C ' ' HB3' ' A' ' 82' ' ' GLN . 61.4 mt-10 -62.63 -168.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 1.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.409 ' HA ' ' CG ' ' A' ' 82' ' ' GLN . 11.1 pt20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 1.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.859 ' H ' ' HA ' ' A' ' 66' ' ' ASP . 11.4 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.537 0.208 . . . . 1.0 111.03 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.428 ' O ' HG12 ' A' ' 65' ' ' VAL . 7.6 mt-10 -135.67 129.88 33.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 1.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.812 ' HB2' ' CG2' ' A' ' 64' ' ' THR . 0.0 OUTLIER -104.88 134.88 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 1.0 109.337 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.824 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 43.9 tptt -121.08 111.75 17.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.675 ' CG ' ' OG1' ' A' ' 62' ' ' THR . 8.5 mp0 -82.48 157.11 23.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 1.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.89 ' O ' ' O ' ' A' ' 61' ' ' VAL . 86.3 m-85 -157.53 -177.5 6.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.893 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -145.73 134.12 21.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 1.0 109.606 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.977 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -62.06 129.77 25.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 1.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.663 HG11 ' CD2' ' A' ' 7' ' ' HIS . 16.5 m -127.41 20.36 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 1.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -101.99 -17.16 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' HA ' ' H ' ' A' ' 58' ' ' GLY . 11.2 pt-20 45.39 18.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 1.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.638 ' CG2' ' N ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -80.19 -60.59 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 1.0 110.346 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.778 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 134.88 54.15 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 1.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.711 ' C ' ' O ' ' A' ' 13' ' ' GLY . 1.1 mp 2.39 76.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 1.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.894 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.0 p80 -97.82 176.84 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 1.0 109.619 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.77 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.2 -36.36 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 1.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.871 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -63.86 -73.22 0.22 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 1.0 110.325 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.894 ' HD3' ' CE1' ' A' ' 15' ' ' HIS . 18.4 Cg_endo -74.95 -30.63 7.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.477 1.778 . . . . 1.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 1.004 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -56.38 -53.7 54.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 1.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.805 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -72.04 -35.32 69.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 110.367 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.634 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -40.8 -51.72 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 19' ' ' ALA . 0.4 OUTLIER -72.46 -52.68 14.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 1.004 HG12 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -55.99 -45.85 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 1.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.805 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.0 pt20 -57.82 -38.72 76.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 1.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.816 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.01 -25.68 29.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 110.433 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.738 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -86.88 -33.94 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.718 ' N ' ' O ' ' A' ' 23' ' ' VAL . 36.2 t -93.66 39.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.791 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -143.7 23.36 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 1.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.816 ' CZ ' ' O ' ' A' ' 25' ' ' THR . 21.9 m-85 -116.42 128.28 55.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -50.84 -16.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 1.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.597 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . 32.5 p -104.22 -177.74 3.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 1.0 110.039 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.77 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -86.76 155.51 20.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 1.027 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -179.47 117.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 1.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.568 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 23.9 m-20 -130.74 179.71 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 1.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.716 ' N ' ' HG ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -119.29 148.19 43.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.924 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -128.42 115.38 18.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 1.0 110.278 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.77 ' CD2' ' CD2' ' A' ' 53' ' ' LEU . 2.8 t80 -118.89 124.17 46.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 1.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.655 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 9.8 mtmt 72.86 0.63 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.43 -1.87 22.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.547 1.154 . . . . 1.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.86 ' NZ ' ' O ' ' A' ' 49' ' ' GLY . 10.8 tttt -96.83 108.11 20.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 0.735 . . . . 1.0 109.354 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.605 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 4.2 p -101.38 116.19 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.603 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -146.15 147.42 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 1.0 109.291 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 1.019 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.7 OUTLIER -41.68 89.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 1.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.716 ' HG ' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -23.39 -38.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.761 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -74.78 9.89 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 1.019 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.7 t -93.43 78.32 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 1.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.803 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -41.21 -59.47 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.594 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -39.92 -68.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 110.962 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.86 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -57.4 -55.25 31.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 1.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.544 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -56.27 -50.17 72.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 0.731 . . . . 1.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.803 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.8 tpp -40.81 -54.11 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.475 ' OG ' ' NZ ' ' A' ' 40' ' ' LYS . 1.1 p -64.57 -24.89 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 109.957 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.77 ' CD2' ' CD2' ' A' ' 37' ' ' TYR . 2.1 mt -94.25 -93.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 1.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.613 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 63.62 137.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.148 . . . . 1.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.586 ' CG1' ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -124.54 -171.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 1.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.778 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 157.13 -86.21 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 1.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.691 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.9 pt20 -40.98 80.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 1.0 110.273 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.893 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 41.8 11.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.438 1.086 . . . . 1.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.691 ' N ' ' O ' ' A' ' 57' ' ' GLN . 27.3 m -48.45 165.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 1.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.743 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.7 p30 -125.69 143.93 50.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.89 ' O ' ' O ' ' A' ' 6' ' ' PHE . 35.5 m -146.89 174.61 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 1.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.924 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.81 141.44 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.417 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.584 ' O ' ' N ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -112.79 148.67 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 1.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 1.027 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.5 m -133.18 139.46 47.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 110.453 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.719 HG21 ' O ' ' A' ' 70' ' ' GLU . 3.7 p -132.66 124.9 51.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.859 ' HA ' ' H ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -138.29 123.06 18.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.597 ' HA3' ' CB ' ' A' ' 31' ' ' SER . . . 137.72 -163.62 25.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 1.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -69.43 -53.69 18.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 0.743 . . . . 1.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.648 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -60.62 -21.33 62.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.0 109.251 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.985 ' O ' ' HG3' ' A' ' 74' ' ' MET . 2.1 pp20? -14.7 -58.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 1.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -61.06 -76.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -46.02 -50.18 15.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 110.331 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.698 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -43.84 -76.32 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 1.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.985 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 1.9 ppp? -50.17 -43.14 52.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 1.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.575 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -41.43 -61.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.525 ' O ' ' HB ' ' A' ' 80' ' ' THR . . . -52.13 -61.11 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.576 HG23 HG21 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -44.51 -56.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 1.0 109.273 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 74' ' ' MET . 5.4 t -51.55 -61.68 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.923 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -52.95 -46.93 68.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 1.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.57 HG23 HD22 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -60.83 -44.85 96.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 1.0 110.402 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.615 ' CD1' ' HB1' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.95 -46.46 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -93.98 -14.37 25.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 1.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.923 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.59 -42.45 20.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 1.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.546 ' CD ' HD12 ' A' ' 21' ' ' LEU . 9.5 mm-40 -90.78 12.08 20.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 110.342 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 54.93 14.59 5.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 1.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.977 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -73.15 -44.2 60.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 1.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.791 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -134.07 163.76 28.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.78 -176.79 3.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 1.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.404 ' HA ' ' OE1' ' A' ' 82' ' ' GLN . 13.9 mp0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.482 ' O ' ' O ' ' A' ' 65' ' ' VAL . 7.8 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.295 -0.261 . . . . 1.0 110.295 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 1.043 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.03 152.91 23.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.258 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.829 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 44.6 tptt -136.17 112.14 9.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.773 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -81.57 161.66 23.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 1.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.855 ' O ' ' O ' ' A' ' 61' ' ' VAL . 92.7 m-85 -163.79 -177.31 5.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 1.0 111.013 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.957 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -144.54 139.06 27.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 1.0 109.564 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.075 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.1 mm -67.21 123.7 20.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 1.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.595 HG11 ' HB3' ' A' ' 88' ' ' GLU . 15.4 m -117.02 4.92 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 1.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.595 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -86.03 -19.5 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 1.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 15.0 pt-20 45.46 17.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.0 110.249 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.791 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -77.28 -60.98 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 1.0 110.404 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.75 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 141.79 22.96 0.23 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 1.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.868 HG12 HG23 ' A' ' 55' ' ' VAL . 0.7 OUTLIER 33.47 73.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 1.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.822 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.3 p80 -98.09 177.34 5.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 1.0 109.595 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.683 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.98 -35.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.882 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -64.96 -73.69 0.21 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.291 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.882 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -74.97 -30.53 7.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 1.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.137 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -57.24 -53.94 52.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 1.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.849 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -71.67 -36.17 70.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 1.0 110.473 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.675 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -40.02 -52.37 2.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 1.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.907 HD23 HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -72.17 -53.34 12.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 1.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.137 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.46 -45.11 81.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 1.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.847 ' N ' ' O ' ' A' ' 20' ' ' THR . 3.9 pt20 -57.97 -37.98 75.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 1.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.765 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -85.57 -27.61 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 1.0 110.365 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.818 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -85.03 -37.52 20.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 1.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.737 ' N ' ' O ' ' A' ' 23' ' ' VAL . 32.6 t -90.49 45.48 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 1.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.777 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.55 20.61 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.824 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.9 m-85 -117.21 142.59 46.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -70.86 1.26 5.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 4.6 m -105.55 176.53 5.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 1.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.832 ' N ' ' O ' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -93.26 97.15 10.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 1.0 109.25 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.058 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.71 127.04 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 1.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.662 ' O ' HG13 ' A' ' 63' ' ' ILE . 52.7 m-20 -140.61 177.21 8.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.885 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -119.14 143.05 47.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 1.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.921 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -127.81 116.33 20.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 1.276 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.7 t80 -118.75 124.53 47.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.648 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 24.6 mtmt 74.34 -5.48 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 1.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 37' ' ' TYR . . . 122.82 -2.82 10.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 1.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.905 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 12.9 tttt -95.49 111.24 23.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 1.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.624 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 1.5 t -104.94 117.99 35.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 109.952 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.653 HG23 ' HB3' ' A' ' 46' ' ' SER . 1.2 m -147.43 148.09 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 1.02 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.3 m-80 -42.78 87.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.673 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -19.97 -40.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.8 ' N ' ' O ' ' A' ' 43' ' ' ASN . 2.2 tptt -70.08 5.96 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 1.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 1.02 ' N ' ' O ' ' A' ' 43' ' ' ASN . 33.5 t -88.54 73.1 8.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 1.0 110.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -40.03 -59.84 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.592 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -40.07 -66.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.789 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -59.89 -53.01 49.4 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 1.0 110.977 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.9 OUTLIER -56.59 -51.31 67.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.761 . . . . 1.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.776 ' N ' ' O ' ' A' ' 47' ' ' ILE . 7.9 mmm -40.83 -57.66 1.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 1.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.406 ' OG ' ' NZ ' ' A' ' 40' ' ' LYS . 6.6 p -59.94 -27.9 67.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 1.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.276 HD22 ' CD2' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -92.16 -88.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.62 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 58.93 145.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.142 . . . . 1.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.016 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -128.18 -171.72 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.783 . . . . 1.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.75 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 161.96 -96.4 0.14 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 1.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.658 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.8 pt20 -39.07 87.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 1.0 110.345 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.661 ' HA2' ' O ' ' A' ' 8' ' ' ILE . . . 39.96 15.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.1 . . . . 1.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.016 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.0 m -55.81 133.96 51.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 0.798 . . . . 1.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.883 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 5.2 p-10 -97.21 147.21 24.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 1.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.866 HG13 HG11 ' A' ' 55' ' ' VAL . 31.2 m -147.18 179.19 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 1.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.921 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -135.6 136.91 41.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 1.0 110.399 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.664 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -109.3 155.98 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 1.058 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -135.26 145.24 47.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 1.0 110.404 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.005 HG22 ' HA ' ' A' ' 70' ' ' GLU . 0.8 OUTLIER -143.51 122.81 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.832 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.8 129.85 23.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.573 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 128.31 -153.1 19.37 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 1.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.571 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -74.22 -61.19 1.94 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 0.75 . . . . 1.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.677 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -52.02 -31.12 28.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 1.005 ' HA ' HG22 ' A' ' 65' ' ' VAL . 3.0 pp20? -9.62 -59.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.806 ' HB2' ' OE2' ' A' ' 70' ' ' GLU . . . -64.21 -68.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 1.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -54.87 -47.09 74.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 1.0 110.292 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.675 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -47.42 -73.08 0.34 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.119 . . . . 1.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.121 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.44 -37.59 70.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 1.0 111.018 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.504 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -44.76 -55.43 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 1.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.743 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -59.82 -59.26 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.664 HG21 HG21 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -45.13 -58.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.121 HG23 ' O ' ' A' ' 74' ' ' MET . 6.8 t -49.96 -60.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.903 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -54.3 -48.85 70.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.646 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -59.68 -46.62 88.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 110.424 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.99 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -45.36 -48.3 13.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.749 HE22 HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -94.06 -13.17 27.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 1.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.903 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.82 -38.34 25.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 1.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.533 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 6.8 mm-40 -96.71 13.61 27.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 1.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.517 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 54.29 18.43 9.76 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 1.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.075 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.3 mt -79.04 -39.24 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.99 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -142.5 161.45 38.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.595 ' HB3' HG11 ' A' ' 9' ' ' VAL . 1.1 pt-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.953 ' O ' HG12 ' A' ' 65' ' ' VAL . 9.3 mt-10 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.294 -0.262 . . . . 1.0 110.294 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 1.016 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -91.55 150.36 21.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.831 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.9 tptt -141.77 111.55 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.756 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.2 mp0 -81.23 150.34 28.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 1.0 110.307 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.879 ' HZ ' HG22 ' A' ' 78' ' ' VAL . 27.9 m-85 -150.77 -173.74 4.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.992 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -149.94 136.79 19.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.599 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.088 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.5 mm -66.63 126.21 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.575 HG22 ' CA ' ' A' ' 87' ' ' ALA . 16.2 m -121.97 5.27 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.609 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -83.87 -19.6 34.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 1.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.9 pt-20 46.91 16.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 1.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.803 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -77.26 -60.66 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.418 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.741 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 139.42 24.17 0.31 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 1.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.865 HG23 ' HA ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER 33.49 75.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 1.0 109.332 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.819 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.3 p80 -99.27 177.03 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.614 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.725 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -39.95 -35.68 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 1.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.88 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.16 -73.55 0.21 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 1.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.97 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.96 -30.67 6.98 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.769 . . . . 1.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.152 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -56.33 -53.96 51.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 1.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.899 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -72.89 -35.1 67.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 1.0 110.399 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.646 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.9 tt -39.81 -51.95 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 1.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.822 HD23 HD13 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -74.05 -53.06 10.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.152 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.45 -43.74 78.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 1.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.853 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.1 pt20 -59.9 -39.24 84.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 1.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.761 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -83.9 -29.79 26.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 1.0 110.406 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.779 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -83.56 -36.65 23.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.717 ' N ' ' O ' ' A' ' 23' ' ' VAL . 51.6 p -90.47 44.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 1.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.795 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -149.12 22.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 1.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.823 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.6 m-85 -119.18 141.46 48.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 1.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -69.65 0.13 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 3.5 m -104.62 174.84 5.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 1.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.816 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -92.77 95.89 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 1.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.097 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -118.86 123.82 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.662 ' O ' HG13 ' A' ' 63' ' ' ILE . 12.5 m-20 -137.19 178.75 6.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.07 HD11 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -121.7 141.52 51.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.925 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -123.67 110.34 14.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 1.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.725 ' CE1' ' CG ' ' A' ' 38' ' ' LYS . 4.6 t80 -112.39 113.71 26.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 1.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.725 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 8.8 mtmt 66.67 19.26 10.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 1.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.51 -4.85 40.37 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.123 . . . . 1.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.782 ' CE ' ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -86.8 89.37 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 0.726 . . . . 1.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.571 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 4.3 t -97.18 105.82 18.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.883 HG21 ' HA3' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -146.08 150.96 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 1.038 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.7 m-20 -42.02 89.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 1.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.737 ' O ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -21.18 -39.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 1.0 109.246 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.798 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -85.51 22.12 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 1.038 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.9 t -94.19 105.5 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.863 HG22 ' N ' ' A' ' 48' ' ' MET . 0.6 OUTLIER -40.31 -88.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.863 ' N ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -39.84 -60.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 111.014 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.883 ' HA3' HG21 ' A' ' 42' ' ' VAL . . . -48.71 -22.71 2.91 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 1.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.737 HG21 ' O ' ' A' ' 44' ' ' LEU . 2.1 t -99.41 -41.25 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 1.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -40.2 -43.83 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 110.984 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -20.82 25.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 1.0 109.986 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.07 HD11 HD11 ' A' ' 35' ' ' LEU . 5.7 tt -75.18 -108.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 1.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.515 ' N ' ' CD2' ' A' ' 53' ' ' LEU . . . 61.66 117.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.498 1.124 . . . . 1.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.005 HG12 ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -121.07 -172.78 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 0.74 . . . . 1.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.741 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 161.1 -93.02 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 1.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.66 ' O ' ' N ' ' A' ' 59' ' ' SER . 7.6 mt-30 -37.17 84.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 1.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . 39.84 15.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 1.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.005 ' CB ' HG12 ' A' ' 55' ' ' VAL . 7.8 m -54.91 133.01 47.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 0.744 . . . . 1.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.866 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 4.6 p-10 -97.98 145.58 26.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.864 ' O ' ' O ' ' A' ' 6' ' ' PHE . 27.2 m -145.78 173.04 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 1.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.925 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.45 129.99 45.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 1.0 110.394 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -102.28 158.14 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 1.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 1.097 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.6 m -140.28 145.56 37.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 1.0 110.432 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.112 HG11 ' HG2' ' A' ' 74' ' ' MET . 2.6 p -142.73 123.22 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.816 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -137.78 132.48 32.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.711 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 129.57 -148.73 18.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 1.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.573 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -83.48 -49.66 9.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 1.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.685 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -57.32 -32.11 66.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 1.0 109.244 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.953 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -5.08 -69.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 110.333 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.692 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -56.87 -72.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 1.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -50.49 -47.92 57.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 1.0 110.342 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.709 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -47.75 -78.81 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 1.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.148 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -55.23 -34.2 63.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 1.0 110.993 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -46.29 -54.36 9.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 1.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.759 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -60.92 -56.77 17.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.72 ' O ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -47.54 -61.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.148 HG23 ' O ' ' A' ' 74' ' ' MET . 5.7 t -45.35 -60.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 1.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.892 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -54.14 -49.69 68.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.57 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -59.01 -47.66 84.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 1.0 110.382 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.012 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -44.25 -46.8 9.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 1.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.704 ' NE2' HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -96.14 -14.33 22.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 110.293 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.892 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.55 -38.83 25.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.527 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 6.3 mm-40 -96.42 14.75 23.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 1.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.479 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 51.53 18.75 3.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 1.0 110.99 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.088 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.4 mt -81.07 -26.45 36.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 0.759 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.012 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -150.42 171.75 16.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.516 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 1.0 110.341 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.927 ' O ' HG12 ' A' ' 65' ' ' VAL . 6.1 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.338 -0.245 . . . . 1.0 110.338 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 1.013 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -91.77 151.73 20.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 1.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.824 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 45.7 tptt -143.37 112.66 6.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.754 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.3 mp0 -81.45 161.62 23.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 1.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.824 ' CZ ' ' CG ' ' A' ' 4' ' ' LYS . 91.5 m-85 -163.05 -176.92 5.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 1.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.928 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -144.95 133.35 21.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 1.0 109.634 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.05 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.6 mm -61.46 133.16 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 1.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 85' ' ' GLY . 15.3 m -130.19 13.71 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 1.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.546 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -92.02 -17.68 24.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 1.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.1 pt-20 46.09 18.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 1.0 110.272 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.853 HG21 ' HG3' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -81.67 -61.02 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 1.0 110.353 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.756 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 137.69 23.36 0.44 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 1.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.761 HG23 ' HA ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER 37.96 72.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 1.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.85 ' CD2' HG23 ' A' ' 12' ' ' THR . 2.1 p80 -97.76 177.79 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.647 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.857 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.86 -33.77 0.33 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 1.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.871 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -66.52 -73.34 0.22 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 1.0 110.278 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.97 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.99 -28.68 8.97 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.802 . . . . 1.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.043 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -59.23 -50.5 73.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 1.145 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.24 -38.41 66.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 1.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.614 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.4 tt -40.22 -55.93 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 1.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.742 HD23 HD13 ' A' ' 86' ' ' LEU . 1.8 pp -69.47 -64.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.145 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 2.7 p -46.53 -51.25 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 1.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.782 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -52.45 -38.64 59.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.749 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -83.97 -29.09 27.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 1.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.814 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.46 -35.09 23.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.788 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -91.54 44.63 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 109.983 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.776 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -149.98 23.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.776 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 22.3 m-85 -119.61 138.41 53.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 1.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -68.46 -4.78 16.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 1.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 69' ' ' ASP . 4.7 m -97.83 178.14 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.949 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.839 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -94.07 94.76 8.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 1.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.052 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -118.18 127.16 75.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 1.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.607 ' O ' HG13 ' A' ' 63' ' ' ILE . 14.7 m-20 -140.11 176.3 8.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.886 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -119.5 141.26 49.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 1.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.938 ' O ' ' N ' ' A' ' 62' ' ' THR . 43.4 tt0 -127.44 116.28 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 1.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 1.238 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.7 t80 -123.39 123.31 40.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 1.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.701 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 17.4 mtmt 71.69 -0.77 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 1.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.68 -13.78 9.27 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 1.0 111.036 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.828 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -82.05 105.4 13.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 1.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.563 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 13.4 p -108.52 112.23 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 1.0 109.974 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.719 HG23 ' HB3' ' A' ' 46' ' ' SER . 2.3 m -145.99 147.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 1.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 1.01 ' O ' ' N ' ' A' ' 45' ' ' LYS . 1.5 m120 -44.38 84.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 1.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.688 ' C ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -11.64 -41.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 1.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 1.01 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -63.87 -2.22 1.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 1.0 109.317 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.939 ' N ' ' O ' ' A' ' 43' ' ' ASN . 12.9 t -87.97 71.59 9.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 1.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.938 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.1 tp -40.14 -52.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 1.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.475 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -40.58 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 1.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.487 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -55.66 -44.37 86.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 1.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.578 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -65.7 -49.47 77.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 1.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.938 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.5 tpp -40.05 -60.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 1.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.7 p -62.15 -14.72 40.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 109.96 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.238 HD22 ' CD2' ' A' ' 37' ' ' TYR . 1.1 mt -95.07 -93.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 58.54 130.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 1.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.023 HG12 ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -117.65 -175.03 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 1.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.767 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . 164.43 -92.75 0.11 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.461 1.101 . . . . 1.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.691 ' C ' ' H ' ' A' ' 59' ' ' SER . 3.9 pt20 -35.92 80.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 1.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.777 ' O ' ' NE2' ' A' ' 7' ' ' HIS . . . 43.58 7.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.538 1.149 . . . . 1.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.023 ' CB ' HG12 ' A' ' 55' ' ' VAL . 8.6 m -42.57 165.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 0.779 . . . . 1.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.86 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 3.6 p-10 -126.72 145.31 50.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 55' ' ' VAL . 33.3 m -146.7 177.6 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.938 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -134.53 129.6 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 1.0 110.406 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.74 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -101.43 156.02 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 1.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 1.052 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.8 m -137.1 145.11 43.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 1.0 110.438 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.031 HG11 ' HG2' ' A' ' 74' ' ' MET . 1.6 p -143.78 123.8 8.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 1.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.839 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.42 129.99 24.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.589 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 130.38 -152.56 19.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 1.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -77.75 -55.17 5.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 1.0 109.275 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.659 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -56.08 -28.94 59.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 1.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.956 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.8 pp20? -12.3 -60.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 1.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.87 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -60.55 -69.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 1.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -54.46 -47.48 72.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 1.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.715 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -47.48 -76.24 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 1.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.139 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.82 -33.58 66.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.766 . . . . 1.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -47.48 -51.26 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.749 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -65.76 -58.47 5.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.74 HG21 HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -46.05 -56.88 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 1.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.139 HG23 ' O ' ' A' ' 74' ' ' MET . 12.5 t -51.33 -60.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 1.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.903 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -55.52 -49.96 71.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 1.0 110.256 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.632 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -57.85 -46.51 84.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 1.0 110.423 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.989 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.04 -46.29 33.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 1.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.588 HE22 HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -95.03 -12.51 26.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 1.0 110.297 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.903 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -83.64 -39.9 19.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 1.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.541 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 6.6 mm-40 -96.33 16.66 17.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 1.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.653 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 50.4 18.77 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 1.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.05 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 2.1 mt -80.07 -23.65 41.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 1.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.989 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -155.39 158.78 39.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.548 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' HG12 ' A' ' 65' ' ' VAL . 4.7 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.296 -0.261 . . . . 1.0 110.296 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.997 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -117.14 160.3 21.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 1.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.858 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 48.4 tptt -145.08 114.73 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.713 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.4 mp0 -87.76 148.16 24.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 1.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.858 ' CZ ' ' CG ' ' A' ' 4' ' ' LYS . 55.4 m-85 -147.2 -178.72 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 1.05 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -145.38 132.65 20.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.0 109.618 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.961 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.7 mm -60.82 127.65 20.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 1.0 109.366 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.821 HG11 ' HG2' ' A' ' 88' ' ' GLU . 9.2 m -125.38 8.63 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 1.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 85' ' ' GLY . . . -93.13 -12.79 29.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.492 ' HA ' ' H ' ' A' ' 58' ' ' GLY . 7.8 pt-20 46.69 16.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 1.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.928 HG21 ' HG3' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -69.48 -78.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.434 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.799 ' N ' HG22 ' A' ' 12' ' ' THR . . . 154.39 14.44 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 1.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.796 ' CD1' HD21 ' A' ' 86' ' ' LEU . 0.4 OUTLIER 39.06 68.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 1.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.867 ' O ' ' N ' ' A' ' 19' ' ' ALA . 3.2 p80 -99.09 -179.71 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 1.0 109.62 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.876 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -39.75 -35.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.849 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -67.62 -71.89 0.29 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 1.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.928 ' HG3' HG21 ' A' ' 12' ' ' THR . 18.4 Cg_endo -75.01 -27.61 9.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 1.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.055 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -61.43 -47.3 86.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 1.134 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -73.5 -39.82 64.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 110.388 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.616 HD11 ' CD ' ' A' ' 84' ' ' GLU . 2.0 tt -39.82 -57.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.67 ' CD2' HD22 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -69.01 -64.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.134 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 4.8 p -46.76 -52.03 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 1.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.798 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -50.73 -38.71 49.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.369 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.797 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -83.84 -28.56 27.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.382 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.803 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.95 -33.43 22.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.78 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.8 t -91.39 42.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.022 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.802 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.72 23.85 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 1.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.816 ' HD2' HG21 ' A' ' 33' ' ' ILE . 21.7 m-85 -120.34 135.66 54.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.415 1.072 . . . . 1.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -64.65 -7.08 9.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 1.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -93.65 175.99 6.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 110.011 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.873 ' N ' ' O ' ' A' ' 66' ' ' ASP . 8.3 m-20 -94.83 83.58 4.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 1.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.067 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -104.94 128.35 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 1.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.607 ' O ' HG13 ' A' ' 63' ' ' ILE . 13.6 m-20 -138.89 174.89 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 1.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.922 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -119.39 141.79 48.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 1.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.996 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -127.12 115.93 19.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 1.0 110.337 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 1.22 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.5 t80 -118.02 127.13 53.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 1.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.866 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER 71.89 2.02 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 1.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.73 -1.59 23.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.434 1.084 . . . . 1.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.996 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 7.3 tttt -95.62 111.29 23.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 1.0 109.361 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.674 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 3.6 p -104.86 115.94 31.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 1.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.64 HG23 ' HB3' ' A' ' 46' ' ' SER . 0.9 OUTLIER -145.13 143.24 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.963 ' O ' ' N ' ' A' ' 46' ' ' SER . 3.1 m-80 -42.61 88.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 1.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.639 ' HG ' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -19.18 -38.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 1.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.872 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -64.7 -2.14 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.963 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.6 t -87.87 69.91 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 1.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.857 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -41.38 -57.2 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 1.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.559 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -39.94 -69.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 1.0 110.993 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.811 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -56.7 -51.33 57.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 1.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -60.93 -47.53 93.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 0.777 . . . . 1.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.857 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -41.56 -54.51 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 1.0 110.995 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 p -61.88 -22.61 65.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.22 HD22 ' CD2' ' A' ' 37' ' ' TYR . 3.6 mt -92.76 -92.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 61.18 127.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 1.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.98 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -112.86 -172.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 1.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.734 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 159.82 -90.85 0.11 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.421 1.076 . . . . 1.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.727 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.4 pt20 -42.16 89.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 1.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.642 ' O ' ' NE2' ' A' ' 7' ' ' HIS . . . 39.01 13.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 1.0 111.031 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.98 ' HB3' HG12 ' A' ' 55' ' ' VAL . 2.1 m -51.55 167.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 1.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.866 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.0 p30 -130.92 146.45 52.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.845 HG13 HG11 ' A' ' 55' ' ' VAL . 33.8 m -148.55 176.83 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.9 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -134.5 133.04 39.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 1.0 110.392 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.855 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -105.82 153.87 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 1.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 1.067 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.6 m -137.56 152.56 49.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 1.0 110.414 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.036 HG11 ' HG2' ' A' ' 74' ' ' MET . 4.4 p -146.24 114.06 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.873 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -132.09 124.49 29.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.427 1.079 . . . . 1.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.701 ' O ' ' CD ' ' A' ' 70' ' ' GLU . . . 141.55 -130.14 4.28 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.517 1.135 . . . . 1.0 111.01 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.466 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . -98.85 -66.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 1.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.676 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -40.77 -30.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.788 ' HA ' HG22 ' A' ' 65' ' ' VAL . 20.6 mt-10 6.89 -80.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 1.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.672 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -55.93 -68.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -46.44 -51.78 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 1.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.755 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -49.18 -78.19 0.1 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 1.0 111.034 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.17 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -55.44 -33.13 63.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 1.0 111.038 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -46.84 -57.77 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.808 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -58.07 -57.84 11.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.855 HG21 HG21 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.73 -59.04 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 1.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.17 HG23 ' O ' ' A' ' 74' ' ' MET . 12.5 t -49.07 -60.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 1.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.999 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -53.68 -43.47 68.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 1.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.535 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -64.92 -50.72 65.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 1.0 110.414 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.902 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -42.05 -45.3 3.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 1.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.503 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -95.89 -15.84 22.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 1.0 110.291 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.999 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -79.31 -36.88 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.616 ' CD ' HD11 ' A' ' 21' ' ' LEU . 8.1 mm-40 -97.8 15.6 23.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.54 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 48.95 22.56 3.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.441 1.088 . . . . 1.0 111.002 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.961 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -91.88 -2.56 56.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 1.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.05 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -169.14 160.68 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.821 ' HG2' HG11 ' A' ' 9' ' ' VAL . 4.7 mt-10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 1.008 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.312 -0.255 . . . . 1.0 110.312 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.99 ' CB ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -86.93 152.83 22.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 1.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.812 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 40.1 tptt -143.74 110.85 5.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 1.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.78 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.6 mp0 -83.7 143.98 29.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 1.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.943 ' O ' ' O ' ' A' ' 61' ' ' VAL . 24.4 m-85 -149.1 178.99 8.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.919 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -140.03 139.85 36.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 1.0 109.614 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.106 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.5 mm -65.82 127.27 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.794 HG11 ' HG2' ' A' ' 88' ' ' GLU . 14.0 m -123.74 8.56 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 1.0 109.269 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.522 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -97.16 -14.83 21.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 56' ' ' GLY . 9.2 pt-20 45.05 16.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 1.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.846 ' HG1' ' HE2' ' A' ' 15' ' ' HIS . 7.7 t -65.39 -57.46 8.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 1.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.79 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 134.39 9.75 1.79 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 1.0 110.955 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.737 HD12 HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER 47.47 64.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 1.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.885 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.8 p80 -98.2 179.2 4.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 1.0 109.603 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.849 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.77 -35.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 1.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.831 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -67.55 -71.44 0.32 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.885 ' HD3' ' CE1' ' A' ' 15' ' ' HIS . 18.2 Cg_endo -75.06 -28.2 9.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 1.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.057 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -61.39 -49.55 76.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 1.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 1.132 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -71.87 -39.71 69.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 110.389 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.607 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.2 tt -39.8 -58.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 1.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.894 HD23 HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -68.01 -64.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 1.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.132 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 4.6 p -46.33 -52.85 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 1.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.794 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.7 pt20 -50.25 -38.18 39.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.735 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.71 -29.95 25.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 1.0 110.39 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.779 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -82.42 -34.22 28.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.755 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.3 t -92.19 49.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 1.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.756 ' CD ' ' CE1' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -155.35 24.05 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.783 ' HZ ' ' HB3' ' A' ' 76' ' ' ALA . 22.6 m-85 -121.06 139.02 53.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -70.24 -1.46 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 1.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.483 ' HG ' ' H ' ' A' ' 70' ' ' GLU . 2.3 m -101.14 176.64 5.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 1.0 109.979 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.881 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -92.6 94.93 9.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 1.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.084 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -117.75 126.6 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 1.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.668 ' O ' HG13 ' A' ' 63' ' ' ILE . 25.4 m-20 -138.27 176.89 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 1.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.877 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -122.02 138.34 54.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.879 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -121.21 120.86 36.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 1.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.771 ' HB3' HD23 ' A' ' 53' ' ' LEU . 2.1 t80 -128.14 128.6 45.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 1.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.584 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 14.4 mtmm 73.38 -7.03 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 37' ' ' TYR . . . 121.42 4.0 10.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 1.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 1.034 ' HZ3' HD13 ' A' ' 53' ' ' LEU . 2.0 ttpt -103.76 113.85 27.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 1.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.615 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 4.9 p -108.22 114.14 27.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 46' ' ' SER . 1.0 OUTLIER -144.33 148.78 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.951 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.9 m-80 -43.93 88.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.624 ' C ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -19.15 -38.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 1.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.881 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -64.55 -2.23 2.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 1.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.951 ' N ' ' O ' ' A' ' 43' ' ' ASN . 6.3 t -87.19 73.01 9.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.846 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -39.85 -58.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 109.3 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.628 ' HE2' ' H ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -40.15 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 111.034 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.888 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -56.67 -50.16 65.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 1.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -60.83 -49.47 84.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.522 0.778 . . . . 1.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.846 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.2 mmm -40.46 -55.99 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 1.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 p -59.57 -24.18 63.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.034 HD13 ' HZ3' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -90.81 -90.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 1.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 53.85 116.56 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 1.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.028 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -102.67 -173.29 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 1.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.79 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 164.26 -96.98 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 1.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.699 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.9 mt-30 -35.97 86.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 1.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . 37.7 17.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 1.0 111.058 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.028 ' HB3' HG12 ' A' ' 55' ' ' VAL . 10.3 m -52.87 172.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 0.771 . . . . 1.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.801 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.2 p30 -133.52 147.5 51.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 1.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.943 ' O ' ' O ' ' A' ' 6' ' ' PHE . 29.8 m -149.66 178.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.876 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -135.37 126.61 28.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 1.0 110.409 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.726 HG12 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -98.37 158.26 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 1.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 1.084 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 2.3 m -140.66 145.44 36.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 1.0 110.374 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.063 HG11 ' HG2' ' A' ' 74' ' ' MET . 2.1 p -144.63 125.34 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 1.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.881 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.49 138.97 35.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 1.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.653 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 123.95 -144.21 15.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 1.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.625 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -88.63 -50.73 6.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.663 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -55.48 -32.72 63.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 1.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.919 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -5.57 -70.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 1.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.626 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -53.01 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -50.08 -48.38 53.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 1.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.749 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -46.54 -79.66 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 1.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.179 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -55.68 -33.31 64.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 1.0 110.982 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -45.97 -53.87 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 1.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.783 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -63.7 -57.52 9.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.726 HG21 HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -47.08 -56.17 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.179 HG23 ' O ' ' A' ' 74' ' ' MET . 8.0 t -53.07 -60.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.937 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -54.38 -48.01 72.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 1.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.71 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -60.06 -49.38 77.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 110.41 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.036 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -44.61 -46.8 10.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.522 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.52 -14.0 25.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 1.0 110.348 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.937 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.54 -39.91 23.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 1.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.54 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 9.4 mm-40 -94.62 10.37 35.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 1.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.716 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 58.91 8.36 5.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 1.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.106 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 2.1 mt -68.69 -35.26 76.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 1.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.036 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -145.55 177.25 9.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.794 ' HG2' HG11 ' A' ' 9' ' ' VAL . 21.7 mt-10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 1.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.284 -0.265 . . . . 1.0 110.284 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 1.067 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.0 132.56 54.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.83 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 41.4 tptt -114.59 111.12 20.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.757 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 5.3 mp0 -82.8 155.58 24.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 1.0 110.352 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.86 ' CZ ' HG13 ' A' ' 78' ' ' VAL . 86.2 m-85 -158.07 -177.0 6.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 1.0 110.998 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.977 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -142.01 134.91 28.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.569 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.996 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -62.76 126.84 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 1.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.539 HG22 ' CA ' ' A' ' 87' ' ' ALA . 13.6 m -121.94 4.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 1.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 85' ' ' GLY . . . -81.56 -19.18 42.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.2 pt-20 46.01 18.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 1.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.841 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -81.46 -63.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 1.0 110.43 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.768 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 143.58 20.98 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 1.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.807 HG23 ' HA ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER 35.08 72.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 1.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.841 ' CD2' HG23 ' A' ' 12' ' ' THR . 2.5 p80 -98.11 178.02 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 1.0 109.555 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.72 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.07 -34.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.872 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -66.11 -73.02 0.23 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 1.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.904 ' HB2' HD21 ' A' ' 86' ' ' LEU . 18.1 Cg_endo -75.06 -30.15 7.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.445 1.761 . . . . 1.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.148 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -57.36 -54.57 45.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 1.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.822 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -71.59 -35.57 70.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 1.0 110.433 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.009 HD22 HD12 ' A' ' 86' ' ' LEU . 3.4 tt -39.76 -53.14 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 1.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.925 HD23 HD13 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -72.11 -53.98 11.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 1.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.148 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -54.54 -46.74 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 1.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.1 pt20 -56.67 -37.72 71.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.787 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -84.12 -26.1 29.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 1.0 110.432 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.767 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -84.9 -37.54 20.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 1.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.623 ' N ' ' O ' ' A' ' 23' ' ' VAL . 6.3 t -91.86 44.52 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.762 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -147.33 22.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.793 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.1 m-85 -116.91 130.84 56.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 1.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -52.33 -16.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 1.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.616 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . 28.7 p -103.92 -176.96 3.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 1.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.702 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -87.18 155.78 19.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 1.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.018 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER 179.86 119.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 1.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.551 ' O ' HG13 ' A' ' 63' ' ' ILE . 24.0 m-20 -134.79 178.36 7.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 1.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.875 HD12 ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -117.28 147.32 42.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 1.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.93 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -130.16 114.17 15.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 1.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 1.28 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.4 t80 -117.12 125.5 51.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.679 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 19.6 mtmt 72.39 0.48 3.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 1.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.414 ' HA2' ' CD ' ' A' ' 36' ' ' GLU . . . 115.85 -3.33 21.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 1.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.927 ' HB3' HD11 ' A' ' 53' ' ' LEU . 14.5 tttt -94.87 108.45 20.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 1.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.62 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 5.6 p -101.98 117.54 35.03 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 1.0 110.021 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.614 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -146.72 149.0 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 1.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 1.013 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.2 m-20 -44.77 87.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.667 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -21.02 -39.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 1.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.802 ' N ' ' O ' ' A' ' 43' ' ' ASN . 4.9 tttp -71.32 6.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 1.013 ' N ' ' O ' ' A' ' 43' ' ' ASN . 8.4 t -90.24 83.97 6.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 1.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.838 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -39.91 -70.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.75 ' N ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -46.09 -58.74 3.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 1.0 110.99 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.802 ' O ' ' CE ' ' A' ' 40' ' ' LYS . . . -59.76 -10.57 13.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 1.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -110.48 -43.08 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 1.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.838 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.7 tpp -46.5 -47.24 19.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 1.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.466 ' OG ' ' NZ ' ' A' ' 40' ' ' LYS . 5.3 p -69.73 -27.07 64.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 1.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.28 HD22 ' CD2' ' A' ' 37' ' ' TYR . 1.2 mt -94.05 -89.59 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.532 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 58.27 141.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 1.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.044 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -127.37 -172.42 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 1.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.768 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 159.28 -87.72 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 1.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.642 ' CG ' ' O ' ' A' ' 57' ' ' GLN . 4.9 pt20 -43.92 82.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 1.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.701 ' O ' ' NE2' ' A' ' 7' ' ' HIS . . . 43.77 12.11 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 1.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.044 ' HB3' HG12 ' A' ' 55' ' ' VAL . 7.8 m -52.9 136.5 34.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 1.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.91 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 7.4 p-10 -98.99 145.58 26.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.858 ' O ' ' O ' ' A' ' 6' ' ' PHE . 28.1 m -146.38 175.53 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 1.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.93 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -130.58 137.83 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 1.0 110.394 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.657 HG12 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -109.94 150.66 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 109.326 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 1.067 HG23 ' HB2' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -132.66 144.27 50.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.412 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.004 HG11 ' HG2' ' A' ' 74' ' ' MET . 4.4 p -139.97 128.81 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 1.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.702 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -144.67 122.05 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 1.0 109.334 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.616 ' HA3' ' CB ' ' A' ' 31' ' ' SER . . . 140.96 -163.96 26.53 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.544 1.153 . . . . 1.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.1 -51.83 28.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 1.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.652 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -62.37 -22.39 66.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.162 . . . . 1.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.998 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.8 pp20? -14.28 -58.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 1.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.708 ' HB2' ' OE2' ' A' ' 70' ' ' GLU . . . -60.65 -72.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 1.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.481 ' HG3' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -52.1 -46.32 65.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 1.0 110.318 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.726 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -46.75 -77.1 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 1.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.155 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -55.05 -37.06 66.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 1.0 110.971 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -45.21 -54.24 7.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 1.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.765 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -60.33 -59.48 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.657 HG21 HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -45.54 -56.3 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 1.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.155 HG23 ' O ' ' A' ' 74' ' ' MET . 6.5 t -51.87 -60.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 1.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.932 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -54.56 -46.31 73.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.638 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -61.77 -43.5 98.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 1.0 110.362 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.016 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.2 -47.33 35.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.725 HE22 HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -94.15 -14.52 25.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 1.0 110.271 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.932 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -82.42 -42.87 18.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 1.0 109.252 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.931 ' HG3' HD21 ' A' ' 21' ' ' LEU . 3.1 mm-40 -92.75 14.24 17.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.66 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 50.95 29.74 20.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 1.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.009 HD12 HD22 ' A' ' 21' ' ' LEU . 6.0 mt -93.27 -17.86 23.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 1.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.016 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -162.56 158.75 23.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 1.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.43 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 1.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.433 ' O ' HG12 ' A' ' 65' ' ' VAL . 20.3 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.331 -0.248 . . . . 1.0 110.331 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 1.012 ' CB ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.47 159.62 25.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.813 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 49.4 tptt -144.87 115.65 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 1.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.698 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.9 mp0 -86.93 155.66 20.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.843 ' O ' ' O ' ' A' ' 61' ' ' VAL . 45.9 m-85 -154.52 -177.24 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 1.104 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -148.56 135.13 19.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 1.0 109.638 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.119 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.6 mm -62.84 124.35 17.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 1.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 85' ' ' GLY . 16.2 m -122.57 1.68 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.508 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -84.92 -11.93 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.8 pt-20 45.71 16.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 110.346 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.905 HG21 ' HG3' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -68.96 -77.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 1.0 110.425 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.753 ' N ' HG22 ' A' ' 12' ' ' THR . . . 158.16 2.8 0.08 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.508 1.13 . . . . 1.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.746 HG12 HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER 50.95 67.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.548 0.793 . . . . 1.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.848 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.2 p80 -99.33 -179.56 4.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 1.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.811 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.44 -36.11 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 1.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.861 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.92 -72.49 0.27 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 110.318 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.905 ' HG3' HG21 ' A' ' 12' ' ' THR . 18.3 Cg_endo -75.02 -29.84 7.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 1.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.147 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -58.35 -52.67 64.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 1.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.895 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -71.79 -35.93 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 1.0 110.382 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.647 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.9 tt -39.92 -52.01 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -72.99 -51.82 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.147 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.98 -45.42 83.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 1.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.826 ' N ' ' O ' ' A' ' 20' ' ' THR . 4.5 pt20 -56.9 -39.43 74.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 1.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.811 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -85.45 -29.75 24.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 110.44 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.801 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -85.81 -30.7 22.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.815 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -93.32 39.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 109.984 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.796 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -145.56 24.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 1.0 109.31 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.821 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.1 m-85 -122.02 134.61 54.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -63.67 -4.52 3.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 1.0 109.268 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 1.1 m -94.41 176.69 6.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.699 ' N ' ' O ' ' A' ' 66' ' ' ASP . 98.1 m-20 -97.35 78.52 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.115 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -99.64 128.37 51.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 109.252 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.532 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 26.6 m-20 -140.04 175.48 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 1.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.864 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.63 140.5 49.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.951 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -124.85 113.1 17.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 1.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 1.248 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.2 t80 -115.45 122.54 46.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 1.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.719 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 1.6 mtmm 72.76 0.67 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.45 -0.54 18.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 1.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.951 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -95.72 106.11 18.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 1.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.653 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 1.7 p -102.09 113.37 26.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 1.0 109.95 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.844 HG13 ' HD3' ' A' ' 40' ' ' LYS . 4.7 m -144.56 144.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 1.001 ' O ' ' N ' ' A' ' 46' ' ' SER . 5.0 m-20 -40.62 86.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.673 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -16.49 -41.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.882 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -66.98 2.42 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 1.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 1.001 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.9 t -88.25 68.93 9.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.842 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -40.06 -52.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 1.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.481 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 14.5 ttp -40.67 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 1.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.581 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -55.82 -48.15 74.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.137 . . . . 1.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.1 t -60.24 -51.21 75.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 1.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.842 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -41.84 -53.24 3.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 1.0 111.019 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.1 p -59.84 -24.11 63.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 1.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.248 HD22 ' CD2' ' A' ' 37' ' ' TYR . 2.0 mt -95.08 -89.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 1.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.82 121.71 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.467 1.105 . . . . 1.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.014 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -107.84 -174.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 1.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.75 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 157.98 -87.84 0.12 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 1.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.634 ' O ' ' N ' ' A' ' 59' ' ' SER . 12.7 mt-30 -43.36 84.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.69 ' O ' ' NE2' ' A' ' 7' ' ' HIS . . . 43.08 11.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.567 1.167 . . . . 1.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.014 ' HB3' HG12 ' A' ' 55' ' ' VAL . 2.2 m -47.87 165.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 1.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.853 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 7.8 p-10 -130.38 146.37 51.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 1.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.843 ' O ' ' O ' ' A' ' 6' ' ' PHE . 35.3 m -148.31 173.16 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 1.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.839 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.62 133.76 47.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 110.367 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.772 HG12 HG21 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -104.6 151.92 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 1.115 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.8 m -139.13 152.18 47.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 1.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.908 HG11 ' HG2' ' A' ' 74' ' ' MET . 10.0 p -144.78 107.81 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 1.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.699 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -124.81 114.3 19.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.657 ' O ' ' CG ' ' A' ' 70' ' ' GLU . . . 152.1 -131.78 3.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.478 1.111 . . . . 1.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -97.09 -66.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 1.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.658 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -39.03 -28.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.104 . . . . 1.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 1.168 ' O ' ' HG3' ' A' ' 74' ' ' MET . 4.4 mt-10 9.92 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.0 110.348 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -54.77 -74.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 1.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -38.97 -53.37 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.757 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -48.08 -80.01 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 1.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.178 ' O ' HG23 ' A' ' 78' ' ' VAL . 2.2 ppp? -51.7 -39.62 58.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 1.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.62 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -42.46 -65.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.795 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -49.42 -59.16 3.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 1.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.772 HG21 HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -45.73 -56.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 1.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.178 HG23 ' O ' ' A' ' 74' ' ' MET . 5.7 t -49.97 -60.79 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.993 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.25 -42.6 66.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 1.0 110.273 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.508 HG22 HD23 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -65.86 -51.47 58.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 1.0 110.41 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.898 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -43.55 -42.65 5.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 1.0 109.353 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.4 OUTLIER -95.41 -16.93 21.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 1.0 110.285 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.993 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -80.63 -40.61 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 1.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.576 ' CD ' HD11 ' A' ' 21' ' ' LEU . 12.7 mm-40 -89.61 7.96 33.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 1.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.743 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 54.26 13.27 3.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.517 1.135 . . . . 1.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.119 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 2.7 tt -83.17 -6.84 59.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.104 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -161.17 158.17 27.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 1.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 1.0 110.288 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' VAL . 6.1 mt-10 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.301 -0.259 . . . . 1.0 110.301 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 1.041 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -134.46 144.41 48.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.0 109.307 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.831 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 43.1 tptt -127.51 111.39 13.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 1.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.787 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 2.1 mp0 -80.87 161.36 24.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 1.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.967 ' CE1' HG13 ' A' ' 78' ' ' VAL . 88.9 m-85 -164.51 -174.71 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 1.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.897 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -147.08 141.45 26.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.17 . . . . 1.0 109.597 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.0 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -70.11 128.26 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.634 HG11 ' HB3' ' A' ' 88' ' ' GLU . 16.1 m -121.8 4.53 6.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 1.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.582 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -87.17 -19.21 28.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 1.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.6 pt-20 45.77 17.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 110.247 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.679 HG21 ' HG3' ' A' ' 18' ' ' PRO . 3.9 t -75.59 -57.19 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 1.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.766 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 136.53 18.41 0.71 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 1.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.843 HG12 HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 40.58 73.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 1.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.881 ' HD1' ' HB2' ' A' ' 17' ' ' ARG . 2.3 p80 -97.29 176.2 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 1.0 109.628 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.76 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.41 -35.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.881 ' HB2' ' HD1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -65.52 -72.79 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.867 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.01 -30.34 7.24 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 1.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.124 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -57.53 -53.95 52.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 1.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.834 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -72.53 -33.31 66.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 1.0 110.392 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.648 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -42.34 -51.21 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 1.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.89 HD23 HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -73.12 -51.56 17.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 1.0 109.317 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.124 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -57.61 -45.42 86.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 1.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.834 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.0 pt20 -56.94 -40.0 75.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 1.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.816 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -83.93 -24.28 30.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 1.0 110.431 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.811 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -87.52 -33.51 18.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 1.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.732 ' N ' ' O ' ' A' ' 23' ' ' VAL . 5.5 t -93.43 39.18 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 109.972 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.761 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -143.96 25.41 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 1.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.816 ' CZ ' ' O ' ' A' ' 25' ' ' THR . 22.2 m-85 -118.27 128.2 54.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 1.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -54.01 -14.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 1.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.604 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . 66.5 p -104.81 -175.46 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.623 ' O ' ' HA ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -86.44 154.36 21.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 1.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.144 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -179.05 116.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 1.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.642 ' O ' HG13 ' A' ' 63' ' ' ILE . 39.1 m-20 -134.7 178.52 6.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 1.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.883 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.77 143.12 47.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 1.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.938 ' N ' ' O ' ' A' ' 62' ' ' THR . 54.2 tt0 -128.51 111.56 13.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 1.0 110.232 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 1.007 ' CD2' HG13 ' A' ' 55' ' ' VAL . 1.9 t80 -116.83 120.69 39.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 1.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.728 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 3.5 mtmt 70.63 1.56 3.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 1.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.59 -14.93 9.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 1.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.864 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -79.55 102.75 9.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 0.756 . . . . 1.0 109.273 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.587 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 5.4 t -108.22 110.72 22.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.611 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -147.65 154.9 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 1.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 1.031 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -46.16 86.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 1.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.76 ' O ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -18.39 -38.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.879 ' N ' ' O ' ' A' ' 43' ' ' ASN . 8.1 tmtt? -74.33 8.73 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 1.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 1.031 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.3 OUTLIER -89.7 80.84 6.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 110.007 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.876 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -40.14 -62.11 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.622 ' N ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -40.0 -71.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 110.965 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.507 ' O ' ' HB2' ' A' ' 53' ' ' LEU . . . -54.17 -50.91 53.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 1.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.76 HG21 ' O ' ' A' ' 44' ' ' LEU . 2.4 t -61.79 -51.31 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 1.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.876 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.1 mmm -36.42 -62.92 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 1.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.4 p -67.07 -21.82 65.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 109.962 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.887 HD22 ' CD2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -92.75 -97.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 1.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.495 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 57.13 159.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 1.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.018 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -135.92 -169.7 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 1.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.766 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 163.71 -100.75 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 1.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.746 ' O ' ' N ' ' A' ' 59' ' ' SER . 4.8 pt20 -36.72 90.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 1.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.67 ' HA2' ' O ' ' A' ' 8' ' ' ILE . . . 36.31 17.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.496 1.122 . . . . 1.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.018 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.8 m -56.51 132.85 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 0.782 . . . . 1.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.873 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 3.5 p-10 -96.96 145.86 25.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.86 HG13 HG11 ' A' ' 55' ' ' VAL . 26.2 m -146.96 177.74 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.938 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -133.26 132.66 41.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.664 HG21 HG21 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -104.54 157.47 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 1.144 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.1 m -136.62 140.95 43.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.92 HG22 ' HA ' ' A' ' 70' ' ' GLU . 4.9 p -140.54 125.04 18.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 1.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -146.39 124.09 11.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.717 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 143.59 -149.7 21.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.443 1.09 . . . . 1.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.516 ' N ' ' HB3' ' A' ' 31' ' ' SER . . . -81.34 -48.66 11.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 1.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.689 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -63.13 -25.64 68.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 1.066 ' O ' ' HG3' ' A' ' 74' ' ' MET . 0.4 OUTLIER -4.93 -71.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 110.33 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -56.38 -75.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -45.35 -48.67 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 1.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.693 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -46.42 -80.51 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 1.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.066 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 2.2 ppp? -50.27 -42.62 52.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 1.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.601 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -40.29 -57.98 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.784 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -56.8 -60.77 3.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 1.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.664 HG21 HG21 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -44.6 -59.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 1.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 74' ' ' MET . 4.2 t -49.78 -60.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.928 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -53.58 -49.65 67.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 1.0 110.243 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.672 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -59.1 -44.37 91.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 1.0 110.397 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.979 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -47.47 -49.72 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 1.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.787 HE22 HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -92.57 -13.97 28.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.928 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -80.76 -39.48 26.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 80' ' ' THR . 5.4 mm-40 -95.98 12.9 28.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 56.9 13.5 8.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 1.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.0 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 3.0 mt -73.15 -42.12 63.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.979 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -142.02 163.7 32.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.634 ' HB3' HG11 ' A' ' 9' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 1.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.757 ' O ' HG12 ' A' ' 65' ' ' VAL . 5.4 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.313 -0.254 . . . . 1.0 110.313 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.962 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -111.67 150.46 30.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 1.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.808 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 37.0 tptt -141.38 113.97 8.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 1.0 109.237 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.2 mp0 -84.43 154.33 22.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.954 ' O ' ' O ' ' A' ' 61' ' ' VAL . 66.1 m-85 -160.04 -177.69 6.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 1.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 1.031 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -143.41 138.33 29.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 1.0 109.566 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.831 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.7 mm -64.69 121.88 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.573 HG22 ' CA ' ' A' ' 87' ' ' ALA . 15.4 m -116.56 4.02 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 1.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.537 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -81.43 -19.16 43.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 1.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 13.8 pt-20 45.48 18.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 1.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.897 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -80.63 -63.69 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.0 110.37 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.795 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 142.77 21.25 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 1.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.761 HG12 HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 35.94 71.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 1.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.897 ' CD2' HG23 ' A' ' 12' ' ' THR . 2.6 p80 -98.1 178.94 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 1.0 109.601 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.888 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.15 -34.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 1.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.865 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -67.22 -73.01 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 1.0 110.335 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.95 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.04 -27.49 9.91 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.494 1.786 . . . . 1.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.053 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -60.77 -48.83 80.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 1.139 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.31 -39.75 65.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 1.0 110.395 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.606 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -40.17 -57.18 1.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.818 HD23 HD13 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -67.82 -65.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.139 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 3.0 p -45.67 -53.17 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 1.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.759 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -50.76 -37.62 43.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.334 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.774 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -84.05 -25.66 29.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 110.416 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.755 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -85.71 -36.19 20.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.699 ' N ' ' O ' ' A' ' 23' ' ' VAL . 8.8 p -93.51 45.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 110.045 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.754 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -147.98 23.94 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.803 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.4 m-85 -117.62 135.92 53.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -59.24 -12.08 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.68 ' HB2' ' HA3' ' A' ' 67' ' ' GLY . 89.7 p -108.23 -176.16 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 1.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.803 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -87.76 154.91 20.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 1.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.02 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -176.97 115.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.696 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -128.91 179.16 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 1.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.908 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -119.83 142.0 49.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.838 ' O ' ' N ' ' A' ' 62' ' ' THR . 11.0 tm-20 -123.02 113.11 18.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 1.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.865 ' HB2' HG12 ' A' ' 61' ' ' VAL . 5.8 t80 -111.07 171.06 7.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 1.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.608 ' N ' ' CG ' ' A' ' 37' ' ' TYR . 19.4 mtpt -57.19 55.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 1.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.809 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -166.31 -43.23 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 1.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.934 ' HE2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER 172.25 -176.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 1.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.592 ' HB3' ' CG ' ' A' ' 36' ' ' GLU . 10.1 p -129.42 124.27 33.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 1.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.772 ' O ' ' N ' ' A' ' 44' ' ' LEU . 4.5 m -145.94 152.12 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 1.196 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.2 m120 -47.61 75.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 1.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.772 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -0.12 -45.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 1.0 109.293 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 1.196 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -68.57 2.97 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.844 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.3 t -87.27 83.31 7.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 1.0 109.972 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.824 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -40.2 -58.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 1.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.577 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -39.88 -74.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 110.976 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.622 ' HA3' HG21 ' A' ' 42' ' ' VAL . . . -54.28 -43.91 75.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.664 HG21 ' O ' ' A' ' 44' ' ' LEU . 1.2 t -63.02 -49.76 82.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 0.76 . . . . 1.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.824 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -42.06 -59.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.24 -11.43 60.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 1.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.934 HD12 ' HE2' ' A' ' 40' ' ' LYS . 5.0 tt -92.2 -94.94 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 1.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.547 ' N ' ' CD2' ' A' ' 53' ' ' LEU . . . 58.42 127.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 1.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.07 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -125.4 -175.22 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 1.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.795 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 157.86 -83.9 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 1.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.662 ' CG ' ' O ' ' A' ' 57' ' ' GLN . 5.2 pt20 -46.36 81.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 1.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.761 ' O ' ' NE2' ' A' ' 7' ' ' HIS . . . 46.08 9.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 1.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.07 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.7 m -49.2 132.21 19.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 1.0 110.016 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.858 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 13.6 p-10 -96.43 147.76 23.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.954 ' O ' ' O ' ' A' ' 6' ' ' PHE . 34.9 m -149.71 174.02 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 1.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.838 ' N ' ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -132.49 123.13 26.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 1.0 110.358 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.846 HG12 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -95.37 144.13 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 1.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 1.02 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.7 m -130.0 140.23 50.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.098 HG11 ' HG2' ' A' ' 74' ' ' MET . 6.6 p -130.29 112.11 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 1.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.803 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -121.09 123.92 43.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.68 ' HA3' ' HB2' ' A' ' 31' ' ' SER . . . 130.53 -163.96 23.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 1.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -66.02 -65.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 1.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.688 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -39.36 -29.65 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.84 ' HA ' HG22 ' A' ' 65' ' ' VAL . 8.3 mt-10 -3.0 -73.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 1.0 110.335 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.768 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -55.69 -72.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 1.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -47.86 -49.95 27.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 1.0 110.286 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.72 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -46.24 -79.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.151 . . . . 1.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.111 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -55.16 -32.53 62.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 1.0 111.012 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -47.12 -54.95 9.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 1.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.802 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -62.85 -59.07 5.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.846 HG21 HG12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.91 -55.33 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 1.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.111 HG23 ' O ' ' A' ' 74' ' ' MET . 21.8 t -53.43 -60.84 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.931 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.34 -45.55 69.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.668 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -62.67 -48.99 76.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 1.0 110.401 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.049 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -45.0 -43.55 9.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.359 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.488 HE22 HG12 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -96.01 -17.06 21.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 1.0 110.334 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.931 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.4 -39.69 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 4.8 mm-40 -97.31 20.16 11.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 1.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 44.78 26.17 1.07 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.149 . . . . 1.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.95 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.5 mt -90.18 -7.3 53.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 0.761 . . . . 1.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.049 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -170.01 159.13 7.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 1.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.532 ' HB3' HG11 ' A' ' 9' ' ' VAL . 1.1 pt-20 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 1.0 110.292 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 65' ' ' VAL . 23.7 mt-10 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.284 -0.265 . . . . 1.0 110.284 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.984 ' CB ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.9 157.75 30.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.83 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 49.9 tptt -139.03 114.68 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 0.5 OUTLIER -87.28 150.47 23.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 110.267 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.857 ' HZ ' HG22 ' A' ' 78' ' ' VAL . 54.1 m-85 -148.85 -175.65 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 1.1 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -151.97 137.67 17.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 109.624 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.958 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.8 mm -65.65 125.01 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 85' ' ' GLY . 15.8 m -123.24 14.36 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB3' HD12 ' A' ' 86' ' ' LEU . . . -102.32 -17.25 15.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.7 pt-20 47.21 17.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 1.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.817 HG23 ' CD2' ' A' ' 15' ' ' HIS . 1.3 t -71.31 -61.36 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 1.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.718 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 134.57 34.77 0.27 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 1.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.857 HG13 HD21 ' A' ' 86' ' ' LEU . 0.8 OUTLIER 29.96 75.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 1.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.972 ' HD1' ' HB2' ' A' ' 17' ' ' ARG . 2.5 p80 -98.42 172.95 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 1.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.867 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.15 -32.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 1.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.972 ' HB2' ' HD1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -64.1 -76.12 0.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 1.0 110.304 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.984 ' CB ' HD13 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.06 -26.7 10.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 1.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.059 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -61.15 -49.33 77.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 1.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 1.06 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.34 -41.48 63.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 1.0 110.359 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.772 HD13 ' HB3' ' A' ' 84' ' ' GLU . 3.4 tt -39.92 -54.78 2.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -68.42 -65.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 1.0 109.339 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.06 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 2.6 p -46.84 -51.95 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 1.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.784 ' N ' ' O ' ' A' ' 20' ' ' THR . 2.7 pt20 -51.24 -38.03 50.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.781 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -86.42 -34.69 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 1.0 110.462 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.758 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -79.46 -29.42 41.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 1.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.795 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -97.5 47.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 1.0 109.974 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.765 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -154.56 23.9 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 1.0 109.248 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.856 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.7 m-85 -120.15 135.11 55.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -66.11 -5.27 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 1.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.538 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -94.83 178.24 5.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 1.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.871 ' N ' ' O ' ' A' ' 66' ' ' ASP . 63.7 m-20 -96.53 88.02 4.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 1.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.077 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -110.27 127.08 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.593 ' O ' HG13 ' A' ' 63' ' ' ILE . 27.6 m-20 -140.48 176.29 8.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 1.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.901 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.92 145.15 45.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 1.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 1.106 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -130.51 112.44 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 1.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 1.358 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.1 t80 -113.68 124.71 52.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 1.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.692 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER 61.76 16.57 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 103.43 11.49 33.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.092 . . . . 1.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 1.106 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -100.9 96.07 7.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 0.749 . . . . 1.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 3.7 p -97.99 107.33 19.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.0 109.948 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.695 HG23 ' HB3' ' A' ' 46' ' ' SER . 1.0 OUTLIER -145.96 143.25 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.981 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.3 m120 -41.36 88.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 1.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.641 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -18.39 -39.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.875 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -66.16 0.95 1.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 1.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.981 ' N ' ' O ' ' A' ' 43' ' ' ASN . 8.3 t -86.95 67.44 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.762 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.3 tp -39.81 -44.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 1.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.3 ttp -47.12 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 1.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -53.06 -42.69 61.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 1.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.569 HG12 ' N ' ' A' ' 51' ' ' MET . 1.1 t -63.06 -57.45 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 1.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.762 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -38.14 -58.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 110.985 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.4 p -55.36 -30.47 60.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 1.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.358 HD22 ' CD2' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -94.82 -88.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 1.0 109.259 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 50' ' ' VAL . . . 60.1 133.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 1.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.085 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -111.12 -175.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 1.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.718 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 162.84 -89.32 0.11 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 1.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.767 ' O ' ' N ' ' A' ' 59' ' ' SER . 7.0 pt20 -43.23 90.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 0.816 . . . . 1.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.594 ' O ' ' NE2' ' A' ' 7' ' ' HIS . . . 35.94 16.58 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 1.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.085 ' HB3' HG12 ' A' ' 55' ' ' VAL . 11.7 m -53.84 172.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 1.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.851 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 17.7 p-10 -133.5 146.65 51.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 1.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.869 HG11 HG21 ' A' ' 55' ' ' VAL . 27.5 m -148.1 176.79 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 1.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.95 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -136.14 135.7 39.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 1.0 110.42 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.806 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -106.97 156.4 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 1.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 1.077 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -137.4 149.58 47.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 1.0 110.415 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.894 HG11 ' HG2' ' A' ' 74' ' ' MET . 0.3 OUTLIER -142.32 118.08 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 1.0 109.258 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.871 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -139.07 121.11 15.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.59 ' O ' ' CG ' ' A' ' 70' ' ' GLU . . . 142.68 -133.32 5.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 1.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.582 ' C ' ' HG3' ' A' ' 70' ' ' GLU . . . -94.5 -60.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 1.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -42.58 -47.67 5.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.715 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER 21.06 -86.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 1.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.71 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -51.5 -68.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -50.37 -48.7 55.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 1.0 110.312 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.731 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -48.17 -79.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.083 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.39 -32.31 64.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 1.0 110.975 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -46.82 -55.18 8.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.853 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -61.39 -54.38 44.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 1.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.806 HG21 HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -47.93 -58.23 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.083 HG23 ' O ' ' A' ' 74' ' ' MET . 10.7 t -48.87 -60.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 1.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.979 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.75 -38.39 64.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 1.0 110.321 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.713 HG23 HD22 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -69.57 -57.21 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 1.0 110.382 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.946 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -38.02 -42.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.556 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -95.65 -18.65 20.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 1.0 110.27 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.979 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -72.7 -32.32 65.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 1.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.772 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -104.52 16.62 25.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.57 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 47.56 19.09 0.72 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 1.0 111.009 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.984 HD13 ' CB ' ' A' ' 18' ' ' PRO . 1.4 tp -91.04 1.1 57.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 1.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.1 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -174.16 156.12 2.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 1.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.435 ' HG2' HG11 ' A' ' 9' ' ' VAL . 11.1 mt-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 1.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 65' ' ' VAL . 18.4 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.301 -0.259 . . . . 1.0 110.301 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.999 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -123.58 145.6 48.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.802 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 35.8 tptt -124.94 110.82 14.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 1.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.77 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 3.3 mp0 -84.34 143.13 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.993 ' O ' ' O ' ' A' ' 61' ' ' VAL . 23.4 m-85 -146.52 178.14 8.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 1.0 111.046 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 1.083 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -139.94 135.39 32.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 1.0 109.571 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 86' ' ' LEU . 3.5 mm -62.92 125.95 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 1.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 85' ' ' GLY . 13.1 m -122.86 4.87 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -88.96 -15.29 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 1.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 12.9 pt-20 44.72 17.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 110.261 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.969 ' HG1' ' HE2' ' A' ' 15' ' ' HIS . 6.5 t -70.78 -56.85 5.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 1.0 110.393 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.828 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 132.87 18.6 1.08 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 1.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.785 HG12 HG23 ' A' ' 55' ' ' VAL . 0.4 OUTLIER 37.08 65.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 1.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.969 ' HE2' ' HG1' ' A' ' 12' ' ' THR . 3.3 p80 -95.5 179.08 5.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.617 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.837 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -41.16 -33.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 1.011 ' HB2' ' HD3' ' A' ' 18' ' ' PRO . 4.1 mmm180 -69.58 -70.39 0.35 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 1.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 1.011 ' HD3' ' HB2' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -74.99 -27.69 9.82 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 1.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.05 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -61.16 -49.54 76.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 1.129 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -71.71 -39.92 69.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 1.0 110.387 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.597 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.1 tt -39.86 -58.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 1.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.799 HD23 HD13 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -67.75 -65.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.129 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 4.6 p -45.81 -53.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.779 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.0 OUTLIER -49.78 -38.19 33.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 110.299 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.847 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.93 -26.6 27.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 1.0 110.408 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.782 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -86.96 -34.34 19.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 1.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.8 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -91.92 43.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 1.0 110.015 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.859 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.28 21.11 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 1.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.874 ' HZ ' ' HB3' ' A' ' 76' ' ' ALA . 21.3 m-85 -117.24 142.84 46.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -72.62 -1.28 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 1.0 109.216 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.517 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -100.25 178.12 4.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 1.0 110.036 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.808 ' N ' ' O ' ' A' ' 66' ' ' ASP . 16.3 m-20 -96.12 88.47 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 1.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.063 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -110.69 128.28 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 1.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.569 ' O ' HG13 ' A' ' 63' ' ' ILE . 20.0 m-20 -138.39 176.56 8.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 1.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.941 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -120.46 139.58 52.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 1.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.914 ' O ' ' N ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -125.22 120.29 30.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 1.0 110.275 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 1.272 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.4 t80 -123.7 125.13 44.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 1.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.638 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 13.7 mtpt 73.71 -2.24 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 118.66 -1.33 15.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 1.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.883 ' HB3' HD11 ' A' ' 53' ' ' LEU . 13.6 tttt -97.26 108.84 21.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 1.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.646 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 2.9 t -103.58 118.78 37.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 1.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 46' ' ' SER . 1.0 OUTLIER -146.34 142.78 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 1.0 109.221 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.968 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.6 m120 -42.64 87.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 1.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.633 ' C ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -18.73 -37.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 109.286 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.911 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -65.91 -2.37 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 1.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.968 ' N ' ' O ' ' A' ' 43' ' ' ASN . 30.3 t -87.09 68.87 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.795 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.3 tp -39.95 -55.06 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 1.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.534 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 8.8 ttp -40.0 -73.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 1.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.746 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -56.74 -51.85 54.33 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.442 1.089 . . . . 1.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -55.82 -51.8 55.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 1.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.795 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -42.28 -52.32 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 1.0 111.034 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -25.61 68.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 1.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.272 HD22 ' CD2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -92.36 -86.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 1.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.652 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 55.35 146.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 1.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.005 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -127.9 -171.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 1.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.828 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 160.23 -94.89 0.13 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.14 . . . . 1.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.658 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.7 mt-30 -39.45 85.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 1.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.673 ' O ' ' NE2' ' A' ' 7' ' ' HIS . . . 41.72 12.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 1.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.005 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.1 m -54.24 138.58 38.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 1.0 109.985 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.831 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 6.9 p-10 -100.85 148.48 24.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 1.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.993 ' O ' ' O ' ' A' ' 6' ' ' PHE . 30.8 m -148.3 -178.6 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 1.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.914 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -137.28 131.56 32.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 110.399 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.94 HG12 HG21 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -102.77 152.76 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 1.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 1.063 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 m -135.68 148.51 48.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 1.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.095 HG11 ' HG2' ' A' ' 74' ' ' MET . 4.5 p -146.96 120.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 1.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.808 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.59 120.71 13.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.552 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 146.54 -143.96 12.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 1.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.586 ' C ' ' HG3' ' A' ' 70' ' ' GLU . . . -88.9 -48.42 7.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 0.745 . . . . 1.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.655 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -55.04 -37.33 66.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 1.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.777 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER 11.58 -88.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 110.349 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.695 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -48.62 -70.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 1.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 69' ' ' ASP . 2.1 tp10 -45.67 -52.07 11.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 1.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.763 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -50.29 -80.24 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.156 . . . . 1.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.175 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -52.72 -33.97 50.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 0.729 . . . . 1.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -45.75 -58.79 3.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 1.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.874 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -57.49 -57.15 13.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 1.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.94 HG21 HG12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -48.19 -56.41 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.175 HG23 ' O ' ' A' ' 74' ' ' MET . 14.1 t -51.14 -60.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.894 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -54.18 -48.15 71.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 1.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.599 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -60.32 -52.21 66.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 1.0 110.379 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.008 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -42.6 -44.04 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 109.357 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -95.61 -18.99 20.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 1.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.894 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -79.34 -43.21 23.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 80' ' ' THR . 6.3 mm-40 -91.74 13.19 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 1.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.621 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 53.12 16.13 4.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.423 1.077 . . . . 1.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.821 ' O ' HD12 ' A' ' 8' ' ' ILE . 7.5 mt -83.68 3.57 32.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 1.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.083 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -177.34 160.81 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 1.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.618 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 1.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 65' ' ' VAL . 40.6 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.285 -0.265 . . . . 1.0 110.285 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 1.013 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -122.48 160.54 25.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 1.0 109.303 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.796 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.0 tptt -142.54 113.73 7.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 1.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.691 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 2.4 mp0 -90.04 151.32 21.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 1.0 110.34 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.988 ' O ' ' O ' ' A' ' 61' ' ' VAL . 44.5 m-85 -149.05 -177.8 6.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 1.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.968 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -144.47 137.85 27.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 1.0 109.596 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.198 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.2 mm -62.05 125.43 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 1.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 85' ' ' GLY . 15.8 m -125.83 2.19 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 1.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.632 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -84.17 -18.2 37.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 12.2 pt-20 47.0 14.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.758 HG23 ' CD2' ' A' ' 15' ' ' HIS . 1.3 t -74.84 -60.05 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 1.0 110.449 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.728 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 140.04 17.94 0.45 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 1.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.93 HG12 HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER 46.91 74.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 1.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.878 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 2.4 p80 -100.93 172.12 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.633 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.923 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.0 -32.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.924 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -62.52 -76.43 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 1.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.924 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -75.0 -27.53 9.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 1.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.995 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -63.66 -48.76 75.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 1.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 1.086 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -74.3 -40.15 62.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 1.0 110.397 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.038 HD22 ' HG2' ' A' ' 84' ' ' GLU . 3.2 tt -40.98 -53.14 3.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 1.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.682 HD23 HD13 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -69.68 -65.35 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 1.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.086 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 3.0 p -47.44 -50.71 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 1.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.777 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -52.44 -38.91 60.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 1.0 110.296 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.734 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -83.79 -33.46 24.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 1.0 110.37 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.903 ' CB ' HD22 ' A' ' 44' ' ' LEU . . . -79.39 -33.27 42.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.763 ' N ' ' O ' ' A' ' 23' ' ' VAL . 25.7 p -91.9 49.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 110.024 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.746 ' CD ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -157.99 24.49 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 1.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.814 ' HZ ' ' HB3' ' A' ' 76' ' ' ALA . 22.6 m-85 -120.85 136.17 54.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -67.51 -4.3 11.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 1.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.505 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -93.17 178.0 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 1.0 110.016 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.815 ' N ' ' O ' ' A' ' 66' ' ' ASP . 22.5 m-20 -95.3 76.66 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 1.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.064 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -100.21 128.19 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 1.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.673 ' O ' HG13 ' A' ' 63' ' ' ILE . 27.9 m-20 -136.74 175.72 9.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 1.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.146 HD13 ' CD1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -121.09 144.89 48.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 1.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 1.02 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -126.48 98.18 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 110.322 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 1.146 ' CD1' HD13 ' A' ' 35' ' ' LEU . 5.9 m-30 -104.88 145.29 30.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.792 ' HB2' HD21 ' A' ' 53' ' ' LEU . 17.3 mtmt 50.85 20.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 1.0 109.322 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 37' ' ' TYR . . . 87.61 37.31 8.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 1.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 1.02 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -135.86 109.4 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 1.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.654 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 1.1 p -95.58 114.69 26.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.0 109.991 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.663 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -145.88 142.73 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 1.0 109.326 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.95 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.3 m120 -40.06 86.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.903 HD22 ' CB ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -19.72 -39.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 1.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.831 ' N ' ' O ' ' A' ' 43' ' ' ASN . 5.6 ttmt -62.46 -3.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.95 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.4 t -87.4 61.77 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 1.0 110.054 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.837 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.4 tp -40.07 -49.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 1.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.453 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 9.4 ttp -41.38 -75.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.574 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -53.2 -45.91 63.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 1.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.764 ' CG2' HD21 ' A' ' 35' ' ' LEU . 1.1 t -62.97 -49.88 81.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.837 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -41.04 -58.68 1.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 1.0 111.025 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 p -62.08 -17.72 58.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.894 HD12 ' CE ' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -93.14 -91.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 1.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 56.36 150.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.573 1.17 . . . . 1.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.069 HG22 ' CD2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -134.36 -174.85 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 1.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.882 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . 170.33 -80.35 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 1.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.7 ' C ' ' H ' ' A' ' 59' ' ' SER . 4.4 pt20 -40.0 72.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 1.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.882 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . 45.89 5.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.14 . . . . 1.0 111.045 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.745 ' CB ' HG12 ' A' ' 55' ' ' VAL . 75.5 m -41.27 165.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 1.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.73 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.2 p30 -111.89 158.1 19.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 1.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.988 ' O ' ' O ' ' A' ' 6' ' ' PHE . 30.3 m -150.97 178.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.862 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -148.95 139.1 22.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 1.0 110.433 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.942 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -116.06 157.3 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 1.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . 1.064 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.8 m -139.72 148.27 42.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 110.452 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.057 HG11 ' HG2' ' A' ' 74' ' ' MET . 4.9 p -143.73 107.27 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.815 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -129.42 120.58 25.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.648 ' O ' ' CD ' ' A' ' 70' ' ' GLU . . . 146.14 -129.98 3.56 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 1.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.505 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . -97.41 -67.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 1.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.652 ' O ' ' N ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -36.67 -37.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 1.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.758 ' HA ' HG22 ' A' ' 65' ' ' VAL . 3.7 mt-10 15.79 -82.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 1.0 110.349 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.652 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -55.28 -73.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -43.61 -51.03 7.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 1.0 110.257 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.708 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -48.58 -78.8 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 1.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.12 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.84 -31.67 64.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 1.0 110.924 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -47.4 -56.98 5.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 1.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.814 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -60.95 -56.07 25.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 1.0 109.346 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.942 HG21 HG21 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.35 -58.17 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.12 HG23 ' O ' ' A' ' 74' ' ' MET . 20.2 t -48.43 -61.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 1.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.93 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -53.74 -37.53 63.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.0 110.345 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.64 ' O ' ' CD ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -69.49 -56.14 8.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 1.0 110.405 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.871 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -39.06 -42.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 1.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.583 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -95.68 -16.16 22.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.93 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -76.98 -37.36 55.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 1.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 1.038 ' HG2' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -93.62 3.94 54.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.866 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 60.87 4.82 4.69 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 1.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.198 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 1.5 tt -74.13 -15.11 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 1.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.968 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -156.35 164.57 38.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 1.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.8 ' HG2' HG11 ' A' ' 9' ' ' VAL . 15.2 mt-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 1.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.259 -0.274 . . . . 1.0 110.259 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 1.036 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.7 150.7 41.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 1.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.812 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.0 tptt -133.21 112.9 12.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.749 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 0.9 OUTLIER -85.09 156.39 21.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 1.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.825 ' HE2' HG13 ' A' ' 78' ' ' VAL . 69.9 m-85 -155.8 -176.28 5.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.929 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -146.03 136.43 23.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 1.0 109.557 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.102 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 2.9 mm -64.43 124.02 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 1.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.827 HG11 ' HG2' ' A' ' 88' ' ' GLU . 14.1 m -121.22 2.38 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 1.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -86.95 -16.45 35.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 7.8 pt-20 46.43 15.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 1.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.843 ' HG1' ' HE2' ' A' ' 15' ' ' HIS . 6.6 t -67.94 -57.36 6.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 1.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.797 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 135.88 12.2 1.18 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.477 1.111 . . . . 1.0 111.037 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.728 HG12 HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER 44.06 68.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.415 0.715 . . . . 1.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.866 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.5 p80 -97.84 176.92 5.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 1.0 109.592 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.74 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.5 -35.2 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.864 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.91 -72.52 0.27 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 1.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.866 ' HD3' ' CE1' ' A' ' 15' ' ' HIS . 18.3 Cg_endo -74.99 -31.39 6.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 1.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.125 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -56.83 -53.71 54.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.901 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -72.34 -35.1 68.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 1.0 110.379 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.642 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.8 tt -39.88 -51.67 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 1.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.823 HD23 HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -73.63 -51.76 15.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.125 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -57.39 -44.83 85.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 1.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.839 ' N ' ' O ' ' A' ' 20' ' ' THR . 6.7 pt20 -58.45 -39.37 79.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 1.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.767 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.69 -28.23 26.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 1.0 110.348 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.804 ' HB1' ' CD1' ' A' ' 33' ' ' ILE . . . -83.91 -35.61 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 1.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.718 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -91.76 45.59 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 1.0 110.002 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.81 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -149.49 21.05 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.845 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.4 m-85 -118.08 137.38 52.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 1.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -63.1 -5.76 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 1.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.521 ' OG ' ' CA ' ' A' ' 67' ' ' GLY . 0.5 OUTLIER -98.11 174.2 6.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 110.029 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.871 ' N ' ' O ' ' A' ' 66' ' ' ASP . 3.2 m-20 -95.17 92.88 7.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 1.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.093 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -114.52 127.67 71.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 1.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.577 ' O ' HG13 ' A' ' 63' ' ' ILE . 36.0 m-20 -138.04 176.19 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 1.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.879 HD12 ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -118.74 143.2 47.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 1.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.982 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -128.41 112.95 14.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 1.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 1.262 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.3 t80 -114.16 123.35 49.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 1.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.676 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 16.5 mtmt 73.38 -1.3 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 1.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.64 -2.42 13.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 1.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.982 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -93.63 107.4 19.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 1.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.663 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 3.1 p -102.39 114.36 28.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 1.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.815 HG13 ' HD3' ' A' ' 40' ' ' LYS . 4.3 m -145.51 145.4 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 1.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 1.006 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.9 m-20 -41.94 86.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 1.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.655 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -17.45 -41.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.863 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -66.49 1.55 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 1.006 ' N ' ' O ' ' A' ' 43' ' ' ASN . 6.0 t -88.53 68.6 8.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 1.0 109.949 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.855 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -40.05 -51.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.26 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.478 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 12.6 ttp -40.01 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 1.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.537 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -54.75 -47.49 71.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 1.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.1 t -60.06 -53.33 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 1.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.855 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.3 tpp -39.7 -54.48 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.2 p -58.93 -26.48 64.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.262 HD22 ' CD2' ' A' ' 37' ' ' TYR . 1.8 mt -92.74 -87.34 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 1.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.42 125.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 1.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.994 HG12 ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -108.91 -173.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 1.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.797 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 159.62 -92.15 0.12 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 1.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.679 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.2 mt-30 -36.56 81.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 1.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.732 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . 41.69 11.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.097 . . . . 1.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.994 ' CB ' HG12 ' A' ' 55' ' ' VAL . 13.0 m -47.63 173.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 1.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.905 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.5 p30 -135.05 146.05 48.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 1.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.81 HG13 HG11 ' A' ' 55' ' ' VAL . 27.7 m -148.02 173.55 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.868 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -126.94 146.82 50.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 1.0 110.386 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.645 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -118.17 154.32 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 1.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 1.093 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -137.95 149.43 46.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 1.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.123 HG11 ' HG2' ' A' ' 74' ' ' MET . 5.9 p -143.97 123.03 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 1.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.871 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -138.24 123.94 19.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.596 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 140.56 -142.31 12.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 1.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.597 ' C ' ' HG3' ' A' ' 70' ' ' GLU . . . -92.13 -47.56 7.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 1.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.687 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -56.23 -26.76 52.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 1.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.803 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER 0.79 -79.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 1.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.589 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -55.36 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 1.0 109.342 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -41.66 -51.04 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 1.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.787 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -50.07 -81.03 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 1.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.172 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -53.84 -32.91 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 1.0 110.962 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -47.17 -58.46 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.767 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -57.21 -57.02 14.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.645 HG21 HG21 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.57 -57.19 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 1.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.172 HG23 ' O ' ' A' ' 74' ' ' MET . 9.7 t -50.06 -59.92 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 1.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.93 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -55.66 -46.83 77.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.602 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -60.12 -45.1 94.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 1.0 110.414 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.009 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.39 -47.12 37.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 1.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.507 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 3.7 pt20 -94.5 -11.61 29.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 1.0 110.321 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.93 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -84.38 -39.9 18.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 1.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.547 ' CD ' HD11 ' A' ' 21' ' ' LEU . 10.2 mm-40 -92.66 7.94 41.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 1.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.669 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 61.38 6.83 8.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 1.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.102 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.6 mt -67.45 -41.35 84.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 1.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.009 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -138.6 176.24 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.827 ' HG2' HG11 ' A' ' 9' ' ' VAL . 18.2 mt-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.843 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.312 -0.255 . . . . 1.0 110.312 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 1.023 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -96.63 147.55 23.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.802 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.8 tptt -140.39 114.57 9.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 1.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.742 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 4.4 mp0 -83.46 160.05 21.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 110.358 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.811 ' O ' ' O ' ' A' ' 61' ' ' VAL . 76.4 m-85 -160.31 -176.46 5.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 1.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.902 ' HA ' ' HA ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -147.97 135.62 20.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.593 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.943 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -63.63 125.73 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 85' ' ' GLY . 17.3 m -122.23 1.78 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 1.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.514 ' CB ' ' HA ' ' A' ' 86' ' ' LEU . . . -88.51 -15.98 33.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 1.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 10.5 pt-20 45.52 17.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 110.276 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.911 ' HG1' ' HE2' ' A' ' 15' ' ' HIS . 7.4 t -67.2 -54.89 16.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 1.0 110.424 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.749 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 133.46 10.03 1.96 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.492 1.12 . . . . 1.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.756 HD12 ' CD2' ' A' ' 86' ' ' LEU . 0.2 OUTLIER 46.7 65.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.569 0.805 . . . . 1.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.93 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.2 p80 -94.86 178.42 5.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 1.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.755 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -41.7 -33.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.978 ' HB2' ' HD3' ' A' ' 18' ' ' PRO . 7.8 mmm180 -67.82 -71.4 0.32 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.978 ' HD3' ' HB2' ' A' ' 17' ' ' ARG . 18.5 Cg_endo -74.93 -30.62 7.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 1.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.141 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -57.79 -54.67 44.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 1.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.875 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -71.31 -35.58 71.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 110.387 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.66 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.6 tt -39.92 -52.11 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 1.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.804 HD23 HD13 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -73.15 -53.0 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 1.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.141 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.42 -44.67 80.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.84 ' N ' ' O ' ' A' ' 20' ' ' THR . 4.8 pt20 -58.26 -39.12 78.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.752 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -85.26 -30.45 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 110.407 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.812 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.79 -31.55 23.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 1.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.781 ' N ' ' O ' ' A' ' 23' ' ' VAL . 2.3 p -93.08 42.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 1.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.806 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.18 21.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.274 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.806 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 21.7 m-85 -117.62 135.54 53.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 1.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -66.54 -4.49 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' A' ' 69' ' ' ASP . 14.5 m -97.99 177.67 5.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 110.028 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.834 ' N ' ' O ' ' A' ' 66' ' ' ASP . 1.1 m-20 -93.33 95.92 9.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 1.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.08 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -120.17 125.83 74.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 1.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.56 ' O ' HG13 ' A' ' 63' ' ' ILE . 20.8 m-20 -140.64 175.81 9.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 1.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.938 HD12 ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -118.61 146.89 44.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 109.358 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.938 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -131.61 116.63 17.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 1.0 110.302 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.762 ' CB ' HG12 ' A' ' 61' ' ' VAL . 3.8 t80 -115.95 118.62 33.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 1.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.59 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 19.1 mtmt 71.02 5.36 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.348 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.425 ' C ' ' HG2' ' A' ' 36' ' ' GLU . . . 117.18 -7.82 16.33 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 1.0 111.03 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.937 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 4.1 tmmm? -85.93 101.1 12.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 1.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.607 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 2.6 t -101.73 115.31 30.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 1.0 110.004 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.682 ' O ' ' N ' ' A' ' 44' ' ' LEU . 5.8 m -147.88 144.17 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 1.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.976 ' O ' ' N ' ' A' ' 46' ' ' SER . 4.8 m120 -41.54 85.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 1.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.682 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -15.34 -42.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.901 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -64.97 0.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 1.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.976 ' N ' ' O ' ' A' ' 43' ' ' ASN . 13.7 t -87.46 78.55 8.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 1.0 110.055 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.83 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -39.93 -56.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 1.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.592 ' HE2' ' H ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -40.82 -73.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 1.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.592 ' H ' ' HE2' ' A' ' 48' ' ' MET . . . -57.19 -41.34 92.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 1.0 110.99 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.62 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.7 OUTLIER -65.29 -57.01 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 1.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.83 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.3 tpp -40.09 -44.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 1.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.9 p -73.81 -25.4 60.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 1.0 109.965 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.789 HD21 HD21 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -87.87 -60.19 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.753 ' N ' HD12 ' A' ' 53' ' ' LEU . . . 17.82 104.42 0.0 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 1.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.949 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -94.32 -175.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 1.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.793 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . 167.75 -94.33 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 1.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.662 ' C ' ' H ' ' A' ' 59' ' ' SER . 8.5 pt20 -33.64 79.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.764 . . . . 1.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.793 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . 44.55 8.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.5 1.125 . . . . 1.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.949 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.7 m -45.87 162.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.736 . . . . 1.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.902 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 3.9 p30 -125.49 147.08 49.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 1.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.811 ' O ' ' O ' ' A' ' 6' ' ' PHE . 30.0 m -147.01 174.53 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 1.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.904 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -130.05 135.95 48.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.0 110.392 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.725 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -107.26 157.52 7.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 1.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . 1.08 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 m -138.77 145.53 40.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 1.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.039 HG11 ' HG2' ' A' ' 74' ' ' MET . 1.6 p -144.25 123.9 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.834 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -142.83 127.44 18.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.578 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 134.13 -151.55 20.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 1.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.551 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -77.91 -57.98 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.766 . . . . 1.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.671 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -54.42 -29.57 49.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 1.0 109.247 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 1.011 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.8 pp20? -10.05 -61.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 1.0 110.268 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.865 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -58.89 -75.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 1.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -50.8 -46.03 59.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.743 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -46.69 -77.89 0.09 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.446 1.091 . . . . 1.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.16 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.01 -33.55 64.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 0.808 . . . . 1.0 111.007 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -47.55 -53.53 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 1.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.773 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -62.43 -59.23 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 1.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.725 HG21 HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -45.0 -57.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.16 HG23 ' O ' ' A' ' 74' ' ' MET . 15.2 t -50.51 -60.87 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 1.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.895 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -55.04 -49.79 70.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 110.245 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.572 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -58.49 -47.1 85.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 1.0 110.449 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.798 HD13 ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -45.21 -48.0 12.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 1.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.545 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 6.0 pt20 -95.44 -12.51 25.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 1.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.895 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.53 -40.62 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 1.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.558 ' CD ' HD11 ' A' ' 21' ' ' LEU . 8.7 mm-40 -91.42 5.09 50.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 1.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.826 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 67.69 -4.73 3.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.943 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.3 mt -53.78 -50.4 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 0.754 . . . . 1.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.834 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -130.84 174.7 9.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 1.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.573 ' O ' HG12 ' A' ' 65' ' ' VAL . 10.6 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.327 -0.249 . . . . 1.0 110.327 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 1.011 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.1 OUTLIER -115.57 142.87 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.805 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 39.1 tptt -124.9 109.91 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 1.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.712 ' HG3' HG23 ' A' ' 62' ' ' THR . 3.0 mp0 -84.92 143.06 29.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 1.006 ' O ' ' O ' ' A' ' 61' ' ' VAL . 23.4 m-85 -145.4 -178.48 6.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.954 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -145.49 143.2 29.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.0 109.619 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.735 HG21 ' HA2' ' A' ' 56' ' ' GLY . 3.7 mm -73.25 107.4 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 1.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.998 ' N ' ' O ' ' A' ' 86' ' ' LEU . 14.9 m -93.24 10.45 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 85' ' ' GLY . . . -126.83 117.02 21.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 1.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 12' ' ' THR . 7.8 pt-20 -60.82 -3.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 1.04 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -31.56 -76.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 110.412 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.851 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 130.06 31.68 0.57 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 1.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.913 ' CD1' HD21 ' A' ' 86' ' ' LEU . 0.9 OUTLIER 31.2 73.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 1.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 1.04 ' CD2' HG23 ' A' ' 12' ' ' THR . 2.4 p80 -97.14 174.88 6.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.585 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.719 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -39.92 -34.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.911 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -63.84 -75.59 0.13 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.911 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.04 -27.78 9.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 1.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.136 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -58.42 -52.96 63.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.876 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.71 -37.79 65.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 1.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.679 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 3.6 tt -39.94 -49.18 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 1.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -74.05 -52.21 13.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.136 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -58.71 -44.8 90.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 1.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.847 ' N ' ' O ' ' A' ' 20' ' ' THR . 7.8 pt20 -57.96 -39.23 77.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.708 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -86.46 -34.58 20.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 110.423 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.849 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -73.43 -38.89 65.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 1.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -90.89 14.61 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.0 109.989 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.876 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -104.02 5.97 35.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 1.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.981 ' HZ ' ' HB3' ' A' ' 76' ' ' ALA . 12.3 m-85 -109.31 165.21 11.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 1.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -94.28 0.81 55.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 1.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -95.88 177.88 5.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 1.0 110.003 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.8 ' N ' ' O ' ' A' ' 66' ' ' ASP . 15.3 m-20 -95.84 81.62 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.13 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -106.63 125.67 62.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.572 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 19.2 m-20 -138.08 178.0 7.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.908 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.26 141.06 48.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 1.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.852 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 30.4 tt0 -124.14 116.24 22.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 1.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.759 ' CB ' HG12 ' A' ' 61' ' ' VAL . 3.5 t80 -116.06 114.31 24.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 1.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.618 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 12.7 mtmt 70.35 5.03 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.448 ' C ' ' HG3' ' A' ' 36' ' ' GLU . . . 120.17 -7.73 11.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 1.0 111.016 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.852 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -86.34 98.04 10.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 1.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.619 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 3.8 p -102.23 111.16 23.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 110.036 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.763 HG13 ' HD2' ' A' ' 40' ' ' LYS . 4.3 m -144.3 147.08 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.0 109.363 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.986 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.1 m120 -42.41 81.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.731 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -12.87 -43.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 1.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.957 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.4 tttt -67.65 3.83 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 1.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.986 ' N ' ' O ' ' A' ' 43' ' ' ASN . 16.3 t -89.1 81.62 6.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 1.0 109.959 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.775 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -39.86 -56.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.551 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 10.3 ttp -41.39 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.518 ' HA3' HG21 ' A' ' 42' ' ' VAL . . . -54.75 -43.45 80.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 1.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.688 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.8 OUTLIER -61.7 -59.8 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 1.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.775 ' N ' ' O ' ' A' ' 47' ' ' ILE . 13.9 mmm -39.56 -42.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.0 p -76.02 -26.02 56.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 1.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.686 HD13 ' HB2' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -90.83 -56.09 3.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 1.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.688 ' N ' ' O ' ' A' ' 50' ' ' VAL . . . 15.8 108.53 0.0 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.587 1.179 . . . . 1.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.98 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -100.95 -175.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 1.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.851 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 164.96 -91.29 0.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.119 . . . . 1.0 111.047 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.669 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.6 mt-30 -35.56 83.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 1.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.704 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . 40.06 15.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 1.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.98 ' HB3' HG12 ' A' ' 55' ' ' VAL . 4.0 m -51.73 172.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 1.0 110.04 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.764 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.7 p30 -136.18 145.26 45.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 1.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.006 ' O ' ' O ' ' A' ' 6' ' ' PHE . 26.9 m -147.15 177.45 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 1.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.85 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -132.67 133.36 43.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.0 110.391 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.707 HG22 ' HB3' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -102.69 153.61 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.238 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 1.13 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 m -139.63 148.83 43.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 1.0 110.44 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.066 HG11 ' HG2' ' A' ' 74' ' ' MET . 5.1 p -142.34 112.91 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.8 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -129.84 121.83 27.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 1.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.608 ' O ' ' CD ' ' A' ' 70' ' ' GLU . . . 143.55 -129.69 3.8 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.547 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . -98.83 -69.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.734 . . . . 1.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.675 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -37.94 -29.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 1.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.77 ' HA ' HG22 ' A' ' 65' ' ' VAL . 40.0 mt-10 8.36 -84.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -54.48 -70.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -44.39 -50.61 9.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 1.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.772 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -49.4 -79.31 0.07 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.559 1.162 . . . . 1.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.205 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -51.64 -33.84 35.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 1.0 110.957 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -46.6 -61.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 1.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.981 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -53.6 -55.21 27.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 1.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.631 HG21 HG12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.43 -55.44 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 1.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.205 HG23 ' O ' ' A' ' 74' ' ' MET . 4.6 t -51.26 -62.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.943 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -52.99 -37.09 61.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 110.344 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.656 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -70.02 -55.35 9.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 1.0 110.371 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.015 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -39.06 -42.71 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 1.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.509 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 2.6 pt20 -95.43 -17.55 21.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 110.341 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.943 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -73.91 -32.24 63.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.666 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -97.74 8.06 45.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 1.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.7 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 60.1 6.84 5.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.46 1.1 . . . . 1.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.998 ' O ' ' N ' ' A' ' 9' ' ' VAL . 1.8 tp -71.02 -59.24 2.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 1.015 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -116.06 164.85 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.653 ' HG2' HG11 ' A' ' 9' ' ' VAL . 61.4 mt-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 1.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.567 ' O ' HG12 ' A' ' 65' ' ' VAL . 7.6 mt-10 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.29 -0.263 . . . . 1.0 110.29 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.965 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -104.88 134.88 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 1.0 109.337 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.824 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 43.9 tptt -121.08 111.75 17.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.696 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 8.5 mp0 -82.48 157.11 23.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 1.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.89 ' O ' ' O ' ' A' ' 61' ' ' VAL . 86.3 m-85 -157.53 -177.5 6.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.835 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -145.73 134.12 21.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 1.0 109.606 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.015 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -62.06 129.77 25.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 1.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.783 HG11 ' HB3' ' A' ' 88' ' ' GLU . 16.5 m -127.41 20.36 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 1.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.634 ' CB ' HD23 ' A' ' 86' ' ' LEU . . . -101.99 -17.16 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.526 ' HA ' ' H ' ' A' ' 58' ' ' GLY . 11.2 pt-20 45.39 18.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 1.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.784 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -80.19 -60.59 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 1.0 110.346 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.778 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 134.88 54.15 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 1.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.823 HG23 ' HA ' ' A' ' 19' ' ' ALA . 1.1 mp 2.39 76.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 1.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.893 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.0 p80 -97.82 176.84 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 1.0 109.619 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.77 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.2 -36.36 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 1.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.871 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -63.86 -73.22 0.22 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 1.0 110.325 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.939 ' HB2' HD11 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.95 -30.63 7.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.477 1.778 . . . . 1.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 1.134 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -56.38 -53.7 54.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 1.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.822 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -72.04 -35.32 69.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 110.367 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.634 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -40.8 -51.72 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.726 HD23 ' O ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -72.46 -52.68 14.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.134 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -55.99 -45.85 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 1.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.805 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.0 pt20 -57.82 -38.72 76.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 1.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.816 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.01 -25.68 29.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 110.433 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.766 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -86.88 -33.94 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.718 ' N ' ' O ' ' A' ' 23' ' ' VAL . 36.2 t -93.66 39.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.791 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -143.7 23.36 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 1.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.816 ' CZ ' ' O ' ' A' ' 25' ' ' THR . 21.9 m-85 -116.42 128.28 55.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -50.84 -16.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 1.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.597 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . 32.5 p -104.22 -177.74 3.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 1.0 110.039 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.77 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -86.76 155.51 20.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 1.069 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -179.47 117.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 1.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.568 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 23.9 m-20 -130.74 179.71 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 1.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.873 HD12 ' N ' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -119.29 148.19 43.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.924 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -128.42 115.38 18.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 1.0 110.278 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 1.297 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.8 t80 -118.89 124.17 46.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 1.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.655 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 9.8 mtmt 72.86 0.63 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.43 -1.87 22.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.547 1.154 . . . . 1.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.945 ' HB3' HD11 ' A' ' 53' ' ' LEU . 10.8 tttt -96.83 108.11 20.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 0.735 . . . . 1.0 109.354 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.594 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 4.2 p -101.38 116.19 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.603 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -146.15 147.42 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 1.0 109.291 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 1.019 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.7 OUTLIER -41.68 89.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 1.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -23.39 -38.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.761 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -74.78 9.89 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 1.019 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.7 t -93.43 78.32 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 1.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.803 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -41.21 -59.47 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.594 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -39.92 -68.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 110.962 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.86 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -57.4 -55.25 31.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 1.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.544 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -56.27 -50.17 72.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 0.731 . . . . 1.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.803 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.8 tpp -40.81 -54.11 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.475 ' OG ' ' NZ ' ' A' ' 40' ' ' LYS . 1.1 p -64.57 -24.89 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 109.957 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.297 HD22 ' CD2' ' A' ' 37' ' ' TYR . 2.1 mt -94.25 -93.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 1.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.613 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 63.62 137.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.148 . . . . 1.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.026 HG12 ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -124.54 -171.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 1.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.778 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 157.13 -86.21 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 1.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.691 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.9 pt20 -40.98 80.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 1.0 110.273 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.73 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . 41.8 11.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.438 1.086 . . . . 1.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . 1.026 ' CB ' HG12 ' A' ' 55' ' ' VAL . 27.3 m -48.45 165.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 1.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.823 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.7 p30 -125.69 143.93 50.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.89 ' O ' ' O ' ' A' ' 6' ' ' PHE . 35.5 m -146.89 174.61 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 1.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.924 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.81 141.44 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.417 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.739 HG21 HG21 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -112.79 148.67 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 1.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . 1.069 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.5 m -133.18 139.46 47.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 110.453 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.054 HG22 ' HA ' ' A' ' 70' ' ' GLU . 3.7 p -132.66 124.9 51.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.77 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -138.29 123.06 18.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.597 ' HA3' ' CB ' ' A' ' 31' ' ' SER . . . 137.72 -163.62 25.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 1.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -69.43 -53.69 18.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 0.743 . . . . 1.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.648 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -60.62 -21.33 62.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.0 109.251 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 1.054 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.1 pp20? -14.7 -58.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 1.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -61.06 -76.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -46.02 -50.18 15.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 110.331 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.698 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -43.84 -76.32 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 1.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . 1.103 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.9 ppp? -50.17 -43.14 52.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 1.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.575 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -41.43 -61.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.805 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -52.13 -61.11 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.739 HG21 HG21 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -44.51 -56.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 1.0 109.273 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.103 HG23 ' O ' ' A' ' 74' ' ' MET . 5.4 t -51.55 -61.68 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.923 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -52.95 -46.93 68.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 1.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.623 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -60.83 -44.85 96.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 1.0 110.402 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.948 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.95 -46.46 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -93.98 -14.37 25.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 1.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.923 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.59 -42.45 20.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 1.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.561 ' CD ' HD11 ' A' ' 21' ' ' LEU . 9.5 mm-40 -90.78 12.08 20.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 110.342 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.479 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 54.93 14.59 5.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 1.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.015 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -73.15 -44.2 60.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 1.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.948 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -134.07 163.76 28.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.783 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 1.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtp . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.479 0.181 . . . . 1.0 111.048 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.482 ' O ' ' O ' ' A' ' 65' ' ' VAL . 7.8 mt-10 -142.02 135.29 29.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 1.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 1.043 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.03 152.91 23.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.258 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.829 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 44.6 tptt -136.17 112.14 9.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.773 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -81.57 161.66 23.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 1.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.855 ' O ' ' O ' ' A' ' 61' ' ' VAL . 92.7 m-85 -163.79 -177.31 5.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 1.0 111.013 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.957 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -144.54 139.06 27.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 1.0 109.564 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.075 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.1 mm -67.21 123.7 20.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 1.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.595 HG11 ' HB3' ' A' ' 88' ' ' GLU . 15.4 m -117.02 4.92 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 1.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.595 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -86.03 -19.5 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 1.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 15.0 pt-20 45.46 17.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.0 110.249 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.791 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -77.28 -60.98 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 1.0 110.404 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.75 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 141.79 22.96 0.23 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 1.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.868 HG12 HG23 ' A' ' 55' ' ' VAL . 0.7 OUTLIER 33.47 73.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 1.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.822 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.3 p80 -98.09 177.34 5.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 1.0 109.595 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.683 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.98 -35.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.882 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -64.96 -73.69 0.21 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.291 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.882 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -74.97 -30.53 7.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 1.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.137 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -57.24 -53.94 52.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 1.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.849 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -71.67 -36.17 70.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 1.0 110.473 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.675 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -40.02 -52.37 2.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 1.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.907 HD23 HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -72.17 -53.34 12.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 1.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.137 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.46 -45.11 81.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 1.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.847 ' N ' ' O ' ' A' ' 20' ' ' THR . 3.9 pt20 -57.97 -37.98 75.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 1.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.765 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -85.57 -27.61 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 1.0 110.365 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.818 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -85.03 -37.52 20.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 1.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.737 ' N ' ' O ' ' A' ' 23' ' ' VAL . 32.6 t -90.49 45.48 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 1.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.777 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.55 20.61 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.824 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.9 m-85 -117.21 142.59 46.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -70.86 1.26 5.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 4.6 m -105.55 176.53 5.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 1.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.832 ' N ' ' O ' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -93.26 97.15 10.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 1.0 109.25 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.058 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.71 127.04 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 1.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.662 ' O ' HG13 ' A' ' 63' ' ' ILE . 52.7 m-20 -140.61 177.21 8.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.885 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -119.14 143.05 47.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 1.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.921 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -127.81 116.33 20.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 1.276 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.7 t80 -118.75 124.53 47.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.648 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 24.6 mtmt 74.34 -5.48 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 1.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 37' ' ' TYR . . . 122.82 -2.82 10.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 1.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.905 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 12.9 tttt -95.49 111.24 23.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 1.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.624 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 1.5 t -104.94 117.99 35.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 109.952 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.653 HG23 ' HB3' ' A' ' 46' ' ' SER . 1.2 m -147.43 148.09 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 1.02 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.3 m-80 -42.78 87.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.673 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -19.97 -40.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.8 ' N ' ' O ' ' A' ' 43' ' ' ASN . 2.2 tptt -70.08 5.96 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 1.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 1.02 ' N ' ' O ' ' A' ' 43' ' ' ASN . 33.5 t -88.54 73.1 8.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 1.0 110.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -40.03 -59.84 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.592 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -40.07 -66.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.789 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -59.89 -53.01 49.4 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 1.0 110.977 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.9 OUTLIER -56.59 -51.31 67.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.761 . . . . 1.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.776 ' N ' ' O ' ' A' ' 47' ' ' ILE . 7.9 mmm -40.83 -57.66 1.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 1.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.406 ' OG ' ' NZ ' ' A' ' 40' ' ' LYS . 6.6 p -59.94 -27.9 67.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 1.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.276 HD22 ' CD2' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -92.16 -88.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.62 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 58.93 145.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.142 . . . . 1.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.016 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -128.18 -171.72 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.783 . . . . 1.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.75 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 161.96 -96.4 0.14 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 1.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.658 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.8 pt20 -39.07 87.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 1.0 110.345 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.661 ' HA2' ' O ' ' A' ' 8' ' ' ILE . . . 39.96 15.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.1 . . . . 1.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.016 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.0 m -55.81 133.96 51.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 0.798 . . . . 1.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.883 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 5.2 p-10 -97.21 147.21 24.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 1.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.866 HG13 HG11 ' A' ' 55' ' ' VAL . 31.2 m -147.18 179.19 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 1.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.921 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -135.6 136.91 41.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 1.0 110.399 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.664 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -109.3 155.98 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 1.058 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -135.26 145.24 47.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 1.0 110.404 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.005 HG22 ' HA ' ' A' ' 70' ' ' GLU . 0.8 OUTLIER -143.51 122.81 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.832 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.8 129.85 23.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.573 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 128.31 -153.1 19.37 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 1.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.571 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -74.22 -61.19 1.94 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 0.75 . . . . 1.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.677 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -52.02 -31.12 28.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 1.005 ' HA ' HG22 ' A' ' 65' ' ' VAL . 3.0 pp20? -9.62 -59.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.806 ' HB2' ' OE2' ' A' ' 70' ' ' GLU . . . -64.21 -68.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 1.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -54.87 -47.09 74.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 1.0 110.292 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.675 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -47.42 -73.08 0.34 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.119 . . . . 1.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.121 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.44 -37.59 70.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 1.0 111.018 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.504 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -44.76 -55.43 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 1.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.743 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -59.82 -59.26 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.664 HG21 HG21 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -45.13 -58.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.121 HG23 ' O ' ' A' ' 74' ' ' MET . 6.8 t -49.96 -60.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.903 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -54.3 -48.85 70.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.646 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -59.68 -46.62 88.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 110.424 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.99 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -45.36 -48.3 13.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.749 HE22 HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -94.06 -13.17 27.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 1.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.903 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.82 -38.34 25.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 1.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.533 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 6.8 mm-40 -96.71 13.61 27.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 1.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.517 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 54.29 18.43 9.76 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 1.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.075 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.3 mt -79.04 -39.24 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.99 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -142.5 161.45 38.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.595 ' HB3' HG11 ' A' ' 9' ' ' VAL . 1.1 pt-20 -92.98 177.82 5.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.499 0.19 . . . . 1.0 111.04 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.953 ' O ' HG12 ' A' ' 65' ' ' VAL . 9.3 mt-10 -143.83 101.27 3.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 1.016 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -91.55 150.36 21.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.831 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.9 tptt -141.77 111.55 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.756 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.2 mp0 -81.23 150.34 28.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 1.0 110.307 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.879 ' HZ ' HG22 ' A' ' 78' ' ' VAL . 27.9 m-85 -150.77 -173.74 4.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.992 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -149.94 136.79 19.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.599 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.088 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.5 mm -66.63 126.21 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.575 HG22 ' CA ' ' A' ' 87' ' ' ALA . 16.2 m -121.97 5.27 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.609 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -83.87 -19.6 34.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 1.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.9 pt-20 46.91 16.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 1.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.803 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -77.26 -60.66 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.418 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.741 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 139.42 24.17 0.31 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 1.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.865 HG23 ' HA ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER 33.49 75.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 1.0 109.332 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.819 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.3 p80 -99.27 177.03 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.614 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.725 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -39.95 -35.68 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 1.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.88 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.16 -73.55 0.21 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 1.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.97 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.96 -30.67 6.98 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.769 . . . . 1.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.152 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -56.33 -53.96 51.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 1.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.899 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -72.89 -35.1 67.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 1.0 110.399 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.646 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.9 tt -39.81 -51.95 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 1.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.822 HD23 HD13 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -74.05 -53.06 10.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.152 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.45 -43.74 78.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 1.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.853 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.1 pt20 -59.9 -39.24 84.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 1.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.761 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -83.9 -29.79 26.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 1.0 110.406 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.779 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -83.56 -36.65 23.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.717 ' N ' ' O ' ' A' ' 23' ' ' VAL . 51.6 p -90.47 44.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 1.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.795 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -149.12 22.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 1.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.823 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.6 m-85 -119.18 141.46 48.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 1.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -69.65 0.13 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 3.5 m -104.62 174.84 5.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 1.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.816 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -92.77 95.89 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 1.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.097 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -118.86 123.82 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.662 ' O ' HG13 ' A' ' 63' ' ' ILE . 12.5 m-20 -137.19 178.75 6.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.07 HD11 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -121.7 141.52 51.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.925 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -123.67 110.34 14.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 1.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.725 ' CE1' ' CG ' ' A' ' 38' ' ' LYS . 4.6 t80 -112.39 113.71 26.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 1.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.725 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 8.8 mtmt 66.67 19.26 10.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 1.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.51 -4.85 40.37 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.123 . . . . 1.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.782 ' CE ' ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -86.8 89.37 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 0.726 . . . . 1.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.571 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 4.3 t -97.18 105.82 18.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.883 HG21 ' HA3' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -146.08 150.96 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 1.038 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.7 m-20 -42.02 89.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 1.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.737 ' O ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -21.18 -39.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 1.0 109.246 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.798 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -85.51 22.12 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 1.038 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.9 t -94.19 105.5 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.863 HG22 ' N ' ' A' ' 48' ' ' MET . 0.6 OUTLIER -40.31 -88.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.863 ' N ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -39.84 -60.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 111.014 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.883 ' HA3' HG21 ' A' ' 42' ' ' VAL . . . -48.71 -22.71 2.91 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 1.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.737 HG21 ' O ' ' A' ' 44' ' ' LEU . 2.1 t -99.41 -41.25 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 1.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -40.2 -43.83 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 110.984 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -20.82 25.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 1.0 109.986 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.07 HD11 HD11 ' A' ' 35' ' ' LEU . 5.7 tt -75.18 -108.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 1.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.515 ' N ' ' CD2' ' A' ' 53' ' ' LEU . . . 61.66 117.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.498 1.124 . . . . 1.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.005 HG12 ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -121.07 -172.78 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 0.74 . . . . 1.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.741 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 161.1 -93.02 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 1.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.66 ' O ' ' N ' ' A' ' 59' ' ' SER . 7.6 mt-30 -37.17 84.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 1.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . 39.84 15.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 1.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.005 ' CB ' HG12 ' A' ' 55' ' ' VAL . 7.8 m -54.91 133.01 47.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 0.744 . . . . 1.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.866 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 4.6 p-10 -97.98 145.58 26.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.864 ' O ' ' O ' ' A' ' 6' ' ' PHE . 27.2 m -145.78 173.04 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 1.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.925 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.45 129.99 45.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 1.0 110.394 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -102.28 158.14 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 1.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 1.097 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.6 m -140.28 145.56 37.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 1.0 110.432 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.112 HG11 ' HG2' ' A' ' 74' ' ' MET . 2.6 p -142.73 123.22 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.816 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -137.78 132.48 32.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.711 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 129.57 -148.73 18.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 1.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.573 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -83.48 -49.66 9.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 1.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.685 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -57.32 -32.11 66.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 1.0 109.244 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.953 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -5.08 -69.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 110.333 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.692 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -56.87 -72.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 1.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -50.49 -47.92 57.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 1.0 110.342 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.709 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -47.75 -78.81 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 1.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.148 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -55.23 -34.2 63.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 1.0 110.993 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -46.29 -54.36 9.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 1.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.759 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -60.92 -56.77 17.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.72 ' O ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -47.54 -61.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.148 HG23 ' O ' ' A' ' 74' ' ' MET . 5.7 t -45.35 -60.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 1.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.892 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -54.14 -49.69 68.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.57 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -59.01 -47.66 84.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 1.0 110.382 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.012 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -44.25 -46.8 9.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 1.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.704 ' NE2' HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -96.14 -14.33 22.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 110.293 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.892 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.55 -38.83 25.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.527 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 6.3 mm-40 -96.42 14.75 23.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 1.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.479 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 51.53 18.75 3.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 1.0 110.99 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.088 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.4 mt -81.07 -26.45 36.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 0.759 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.012 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -150.42 171.75 16.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.516 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -104.1 -173.92 2.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 1.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 1.0 110.286 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.498 0.189 . . . . 1.0 110.995 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.927 ' O ' HG12 ' A' ' 65' ' ' VAL . 6.1 mt-10 -141.68 95.22 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 1.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 1.013 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -91.77 151.73 20.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 1.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.824 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 45.7 tptt -143.37 112.66 6.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.754 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.3 mp0 -81.45 161.62 23.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 1.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.824 ' CZ ' ' CG ' ' A' ' 4' ' ' LYS . 91.5 m-85 -163.05 -176.92 5.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 1.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.928 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -144.95 133.35 21.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 1.0 109.634 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.05 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.6 mm -61.46 133.16 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 1.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 85' ' ' GLY . 15.3 m -130.19 13.71 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 1.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.546 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -92.02 -17.68 24.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 1.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.1 pt-20 46.09 18.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 1.0 110.272 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.853 HG21 ' HG3' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -81.67 -61.02 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 1.0 110.353 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.756 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 137.69 23.36 0.44 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 1.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.761 HG23 ' HA ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER 37.96 72.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 1.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.85 ' CD2' HG23 ' A' ' 12' ' ' THR . 2.1 p80 -97.76 177.79 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.647 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.857 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.86 -33.77 0.33 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 1.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.871 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -66.52 -73.34 0.22 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 1.0 110.278 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.97 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.99 -28.68 8.97 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.802 . . . . 1.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.043 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -59.23 -50.5 73.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 1.145 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.24 -38.41 66.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 1.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.614 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.4 tt -40.22 -55.93 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 1.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.742 HD23 HD13 ' A' ' 86' ' ' LEU . 1.8 pp -69.47 -64.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.145 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 2.7 p -46.53 -51.25 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 1.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.782 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -52.45 -38.64 59.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.749 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -83.97 -29.09 27.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 1.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.814 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.46 -35.09 23.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.788 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -91.54 44.63 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 109.983 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.776 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -149.98 23.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.776 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 22.3 m-85 -119.61 138.41 53.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 1.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -68.46 -4.78 16.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 1.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 69' ' ' ASP . 4.7 m -97.83 178.14 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.949 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.839 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -94.07 94.76 8.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 1.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.052 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -118.18 127.16 75.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 1.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.607 ' O ' HG13 ' A' ' 63' ' ' ILE . 14.7 m-20 -140.11 176.3 8.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.886 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -119.5 141.26 49.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 1.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.938 ' O ' ' N ' ' A' ' 62' ' ' THR . 43.4 tt0 -127.44 116.28 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 1.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 1.238 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.7 t80 -123.39 123.31 40.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 1.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.701 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 17.4 mtmt 71.69 -0.77 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 1.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.68 -13.78 9.27 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 1.0 111.036 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.828 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -82.05 105.4 13.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 1.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.563 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 13.4 p -108.52 112.23 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 1.0 109.974 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.719 HG23 ' HB3' ' A' ' 46' ' ' SER . 2.3 m -145.99 147.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 1.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 1.01 ' O ' ' N ' ' A' ' 45' ' ' LYS . 1.5 m120 -44.38 84.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 1.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.688 ' C ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -11.64 -41.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 1.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.01 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -63.87 -2.22 1.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 1.0 109.317 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.939 ' N ' ' O ' ' A' ' 43' ' ' ASN . 12.9 t -87.97 71.59 9.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 1.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.938 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.1 tp -40.14 -52.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 1.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.475 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -40.58 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 1.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.487 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -55.66 -44.37 86.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 1.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.578 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -65.7 -49.47 77.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 1.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.938 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.5 tpp -40.05 -60.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 1.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.7 p -62.15 -14.72 40.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 109.96 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.238 HD22 ' CD2' ' A' ' 37' ' ' TYR . 1.1 mt -95.07 -93.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 58.54 130.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 1.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.023 HG12 ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -117.65 -175.03 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 1.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.767 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . 164.43 -92.75 0.11 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.461 1.101 . . . . 1.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.691 ' C ' ' H ' ' A' ' 59' ' ' SER . 3.9 pt20 -35.92 80.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 1.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.777 ' O ' ' NE2' ' A' ' 7' ' ' HIS . . . 43.58 7.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.538 1.149 . . . . 1.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.023 ' CB ' HG12 ' A' ' 55' ' ' VAL . 8.6 m -42.57 165.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 0.779 . . . . 1.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.86 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 3.6 p-10 -126.72 145.31 50.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 55' ' ' VAL . 33.3 m -146.7 177.6 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.938 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -134.53 129.6 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 1.0 110.406 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.74 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -101.43 156.02 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 1.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 1.052 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.8 m -137.1 145.11 43.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 1.0 110.438 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.031 HG11 ' HG2' ' A' ' 74' ' ' MET . 1.6 p -143.78 123.8 8.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 1.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.839 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.42 129.99 24.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.589 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 130.38 -152.56 19.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 1.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -77.75 -55.17 5.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 1.0 109.275 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.659 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -56.08 -28.94 59.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 1.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.956 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.8 pp20? -12.3 -60.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 1.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.87 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -60.55 -69.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 1.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -54.46 -47.48 72.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 1.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.715 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -47.48 -76.24 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 1.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.139 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.82 -33.58 66.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.766 . . . . 1.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -47.48 -51.26 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.749 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -65.76 -58.47 5.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.74 HG21 HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -46.05 -56.88 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 1.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.139 HG23 ' O ' ' A' ' 74' ' ' MET . 12.5 t -51.33 -60.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 1.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.903 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -55.52 -49.96 71.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 1.0 110.256 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.632 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -57.85 -46.51 84.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 1.0 110.423 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.989 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.04 -46.29 33.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 1.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.588 HE22 HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -95.03 -12.51 26.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 1.0 110.297 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.903 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -83.64 -39.9 19.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 1.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.541 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 6.6 mm-40 -96.33 16.66 17.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 1.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.653 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 50.4 18.77 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 1.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.05 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 2.1 mt -80.07 -23.65 41.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 1.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.989 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -155.39 158.78 39.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.548 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -95.66 -176.16 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.273 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 1.0 110.254 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.809 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 3.4 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.499 0.19 . . . . 1.0 110.98 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' HG12 ' A' ' 65' ' ' VAL . 4.7 mt-10 -130.98 150.5 52.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 1.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.997 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -117.14 160.3 21.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 1.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.858 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 48.4 tptt -145.08 114.73 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.713 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.4 mp0 -87.76 148.16 24.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 1.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.858 ' CZ ' ' CG ' ' A' ' 4' ' ' LYS . 55.4 m-85 -147.2 -178.72 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 1.05 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -145.38 132.65 20.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.0 109.618 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.961 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.7 mm -60.82 127.65 20.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 1.0 109.366 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.821 HG11 ' HG2' ' A' ' 88' ' ' GLU . 9.2 m -125.38 8.63 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 1.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 85' ' ' GLY . . . -93.13 -12.79 29.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.492 ' HA ' ' H ' ' A' ' 58' ' ' GLY . 7.8 pt-20 46.69 16.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 1.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.928 HG21 ' HG3' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -69.48 -78.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.434 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.799 ' N ' HG22 ' A' ' 12' ' ' THR . . . 154.39 14.44 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 1.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.796 ' CD1' HD21 ' A' ' 86' ' ' LEU . 0.4 OUTLIER 39.06 68.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 1.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.867 ' O ' ' N ' ' A' ' 19' ' ' ALA . 3.2 p80 -99.09 -179.71 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 1.0 109.62 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.876 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -39.75 -35.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.849 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -67.62 -71.89 0.29 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 1.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.928 ' HG3' HG21 ' A' ' 12' ' ' THR . 18.4 Cg_endo -75.01 -27.61 9.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 1.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.055 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -61.43 -47.3 86.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 1.134 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -73.5 -39.82 64.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 110.388 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.616 HD11 ' CD ' ' A' ' 84' ' ' GLU . 2.0 tt -39.82 -57.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.67 ' CD2' HD22 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -69.01 -64.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.134 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 4.8 p -46.76 -52.03 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 1.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.798 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -50.73 -38.71 49.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.369 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.797 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -83.84 -28.56 27.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.382 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.803 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.95 -33.43 22.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.78 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.8 t -91.39 42.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.022 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.802 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.72 23.85 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 1.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.816 ' HD2' HG21 ' A' ' 33' ' ' ILE . 21.7 m-85 -120.34 135.66 54.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.415 1.072 . . . . 1.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -64.65 -7.08 9.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 1.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -93.65 175.99 6.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 110.011 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.873 ' N ' ' O ' ' A' ' 66' ' ' ASP . 8.3 m-20 -94.83 83.58 4.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 1.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.067 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -104.94 128.35 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 1.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.607 ' O ' HG13 ' A' ' 63' ' ' ILE . 13.6 m-20 -138.89 174.89 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 1.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.922 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -119.39 141.79 48.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 1.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.996 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -127.12 115.93 19.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 1.0 110.337 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 1.22 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.5 t80 -118.02 127.13 53.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 1.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.866 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER 71.89 2.02 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 1.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.73 -1.59 23.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.434 1.084 . . . . 1.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.996 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 7.3 tttt -95.62 111.29 23.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 1.0 109.361 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.674 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 3.6 p -104.86 115.94 31.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 1.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.64 HG23 ' HB3' ' A' ' 46' ' ' SER . 0.9 OUTLIER -145.13 143.24 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.963 ' O ' ' N ' ' A' ' 46' ' ' SER . 3.1 m-80 -42.61 88.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 1.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.639 ' HG ' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -19.18 -38.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 1.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.872 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -64.7 -2.14 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.963 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.6 t -87.87 69.91 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 1.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.857 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -41.38 -57.2 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 1.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.559 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -39.94 -69.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 1.0 110.993 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.811 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -56.7 -51.33 57.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 1.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -60.93 -47.53 93.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 0.777 . . . . 1.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.857 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -41.56 -54.51 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 1.0 110.995 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 p -61.88 -22.61 65.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.22 HD22 ' CD2' ' A' ' 37' ' ' TYR . 3.6 mt -92.76 -92.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 61.18 127.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 1.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.98 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -112.86 -172.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 1.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.734 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 159.82 -90.85 0.11 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.421 1.076 . . . . 1.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.727 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.4 pt20 -42.16 89.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 1.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.642 ' O ' ' NE2' ' A' ' 7' ' ' HIS . . . 39.01 13.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 1.0 111.031 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.98 ' HB3' HG12 ' A' ' 55' ' ' VAL . 2.1 m -51.55 167.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 1.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.866 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.0 p30 -130.92 146.45 52.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.845 HG13 HG11 ' A' ' 55' ' ' VAL . 33.8 m -148.55 176.83 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.9 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -134.5 133.04 39.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 1.0 110.392 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.855 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -105.82 153.87 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 1.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 1.067 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.6 m -137.56 152.56 49.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 1.0 110.414 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.036 HG11 ' HG2' ' A' ' 74' ' ' MET . 4.4 p -146.24 114.06 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.873 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -132.09 124.49 29.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.427 1.079 . . . . 1.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.701 ' O ' ' CD ' ' A' ' 70' ' ' GLU . . . 141.55 -130.14 4.28 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.517 1.135 . . . . 1.0 111.01 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.466 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . -98.85 -66.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 1.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.676 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -40.77 -30.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.788 ' HA ' HG22 ' A' ' 65' ' ' VAL . 20.6 mt-10 6.89 -80.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 1.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.672 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -55.93 -68.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -46.44 -51.78 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 1.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.755 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -49.18 -78.19 0.1 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 1.0 111.034 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.17 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -55.44 -33.13 63.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 1.0 111.038 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -46.84 -57.77 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.808 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -58.07 -57.84 11.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.855 HG21 HG21 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.73 -59.04 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 1.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.17 HG23 ' O ' ' A' ' 74' ' ' MET . 12.5 t -49.07 -60.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 1.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.999 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -53.68 -43.47 68.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 1.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.535 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -64.92 -50.72 65.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 1.0 110.414 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.902 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -42.05 -45.3 3.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 1.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.503 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -95.89 -15.84 22.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 1.0 110.291 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.999 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -79.31 -36.88 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.616 ' CD ' HD11 ' A' ' 21' ' ' LEU . 8.1 mm-40 -97.8 15.6 23.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.54 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 48.95 22.56 3.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.441 1.088 . . . . 1.0 111.002 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.961 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -91.88 -2.56 56.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 1.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.05 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -169.14 160.68 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.821 ' HG2' HG11 ' A' ' 9' ' ' VAL . 4.7 mt-10 -85.0 -77.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.421 ' C ' ' CD2' ' A' ' 6' ' ' PHE . 18.7 mt-30 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 1.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.456 ' HG3' ' HB2' ' A' ' 66' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.543 0.211 . . . . 1.0 110.971 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 1.008 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -106.93 84.49 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.99 ' CB ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -86.93 152.83 22.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 1.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.812 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 40.1 tptt -143.74 110.85 5.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 1.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.78 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.6 mp0 -83.7 143.98 29.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 1.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.943 ' O ' ' O ' ' A' ' 61' ' ' VAL . 24.4 m-85 -149.1 178.99 8.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.919 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -140.03 139.85 36.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 1.0 109.614 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.106 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.5 mm -65.82 127.27 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.794 HG11 ' HG2' ' A' ' 88' ' ' GLU . 14.0 m -123.74 8.56 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 1.0 109.269 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.522 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -97.16 -14.83 21.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 56' ' ' GLY . 9.2 pt-20 45.05 16.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 1.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.846 ' HG1' ' HE2' ' A' ' 15' ' ' HIS . 7.7 t -65.39 -57.46 8.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 1.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.79 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 134.39 9.75 1.79 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 1.0 110.955 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.737 HD12 HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER 47.47 64.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 1.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.885 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.8 p80 -98.2 179.2 4.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 1.0 109.603 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.849 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.77 -35.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 1.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.831 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -67.55 -71.44 0.32 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.885 ' HD3' ' CE1' ' A' ' 15' ' ' HIS . 18.2 Cg_endo -75.06 -28.2 9.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 1.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.057 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -61.39 -49.55 76.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 1.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 1.132 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -71.87 -39.71 69.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 110.389 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.607 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.2 tt -39.8 -58.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 1.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.894 HD23 HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -68.01 -64.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 1.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.132 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 4.6 p -46.33 -52.85 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 1.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.794 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.7 pt20 -50.25 -38.18 39.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.735 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.71 -29.95 25.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 1.0 110.39 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.779 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -82.42 -34.22 28.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.755 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.3 t -92.19 49.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 1.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.756 ' CD ' ' CE1' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -155.35 24.05 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.783 ' HZ ' ' HB3' ' A' ' 76' ' ' ALA . 22.6 m-85 -121.06 139.02 53.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -70.24 -1.46 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 1.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.483 ' HG ' ' H ' ' A' ' 70' ' ' GLU . 2.3 m -101.14 176.64 5.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 1.0 109.979 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.881 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -92.6 94.93 9.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 1.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.084 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -117.75 126.6 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 1.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.668 ' O ' HG13 ' A' ' 63' ' ' ILE . 25.4 m-20 -138.27 176.89 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 1.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.877 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -122.02 138.34 54.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.879 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -121.21 120.86 36.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 1.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.771 ' HB3' HD23 ' A' ' 53' ' ' LEU . 2.1 t80 -128.14 128.6 45.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 1.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.584 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 14.4 mtmm 73.38 -7.03 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 37' ' ' TYR . . . 121.42 4.0 10.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 1.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 1.034 ' HZ3' HD13 ' A' ' 53' ' ' LEU . 2.0 ttpt -103.76 113.85 27.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 1.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.615 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 4.9 p -108.22 114.14 27.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 46' ' ' SER . 1.0 OUTLIER -144.33 148.78 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.951 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.9 m-80 -43.93 88.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.624 ' C ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -19.15 -38.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 1.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.881 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -64.55 -2.23 2.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 1.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.951 ' N ' ' O ' ' A' ' 43' ' ' ASN . 6.3 t -87.19 73.01 9.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.846 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -39.85 -58.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 109.3 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.628 ' HE2' ' H ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -40.15 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 111.034 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.888 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -56.67 -50.16 65.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 1.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -60.83 -49.47 84.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.522 0.778 . . . . 1.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.846 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.2 mmm -40.46 -55.99 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 1.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 p -59.57 -24.18 63.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.034 HD13 ' HZ3' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -90.81 -90.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 1.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 53.85 116.56 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 1.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.028 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -102.67 -173.29 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 1.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.79 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 164.26 -96.98 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 1.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.699 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.9 mt-30 -35.97 86.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 1.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . 37.7 17.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 1.0 111.058 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.028 ' HB3' HG12 ' A' ' 55' ' ' VAL . 10.3 m -52.87 172.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 0.771 . . . . 1.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.801 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.2 p30 -133.52 147.5 51.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 1.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.943 ' O ' ' O ' ' A' ' 6' ' ' PHE . 29.8 m -149.66 178.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.876 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -135.37 126.61 28.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 1.0 110.409 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.726 HG12 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -98.37 158.26 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 1.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 1.084 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 2.3 m -140.66 145.44 36.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 1.0 110.374 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.063 HG11 ' HG2' ' A' ' 74' ' ' MET . 2.1 p -144.63 125.34 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 1.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.881 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.49 138.97 35.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 1.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.653 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 123.95 -144.21 15.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 1.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.625 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -88.63 -50.73 6.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.663 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -55.48 -32.72 63.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 1.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.919 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -5.57 -70.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 1.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.626 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -53.01 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -50.08 -48.38 53.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 1.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.749 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -46.54 -79.66 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 1.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.179 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -55.68 -33.31 64.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 1.0 110.982 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -45.97 -53.87 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 1.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.783 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -63.7 -57.52 9.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.726 HG21 HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -47.08 -56.17 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.179 HG23 ' O ' ' A' ' 74' ' ' MET . 8.0 t -53.07 -60.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.937 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -54.38 -48.01 72.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 1.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.71 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -60.06 -49.38 77.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 110.41 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.036 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -44.61 -46.8 10.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.522 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.52 -14.0 25.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 1.0 110.348 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.937 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.54 -39.91 23.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 1.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.54 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 9.4 mm-40 -94.62 10.37 35.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 1.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.716 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 58.91 8.36 5.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 1.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.106 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 2.1 mt -68.69 -35.26 76.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 1.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.036 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -145.55 177.25 9.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.794 ' HG2' HG11 ' A' ' 9' ' ' VAL . 21.7 mt-10 -83.21 -177.03 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 1.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.446 ' O ' ' CG ' ' A' ' 89' ' ' GLN . 7.4 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 1.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 1.143 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 3.0 mtp . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.506 0.193 . . . . 1.0 111.021 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -150.01 168.06 24.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 1.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 1.067 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.0 132.56 54.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.83 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 41.4 tptt -114.59 111.12 20.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.757 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 5.3 mp0 -82.8 155.58 24.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 1.0 110.352 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.86 ' CZ ' HG13 ' A' ' 78' ' ' VAL . 86.2 m-85 -158.07 -177.0 6.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 1.0 110.998 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.977 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -142.01 134.91 28.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.569 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.996 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -62.76 126.84 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 1.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.539 HG22 ' CA ' ' A' ' 87' ' ' ALA . 13.6 m -121.94 4.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 1.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 85' ' ' GLY . . . -81.56 -19.18 42.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.2 pt-20 46.01 18.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 1.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.841 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -81.46 -63.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 1.0 110.43 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.768 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 143.58 20.98 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 1.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.807 HG23 ' HA ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER 35.08 72.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 1.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.841 ' CD2' HG23 ' A' ' 12' ' ' THR . 2.5 p80 -98.11 178.02 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 1.0 109.555 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.72 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.07 -34.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.872 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -66.11 -73.02 0.23 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 1.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.904 ' HB2' HD21 ' A' ' 86' ' ' LEU . 18.1 Cg_endo -75.06 -30.15 7.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.445 1.761 . . . . 1.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.148 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -57.36 -54.57 45.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 1.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.822 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -71.59 -35.57 70.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 1.0 110.433 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.009 HD22 HD12 ' A' ' 86' ' ' LEU . 3.4 tt -39.76 -53.14 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 1.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.925 HD23 HD13 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -72.11 -53.98 11.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 1.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.148 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -54.54 -46.74 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 1.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.1 pt20 -56.67 -37.72 71.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.787 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -84.12 -26.1 29.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 1.0 110.432 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.767 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -84.9 -37.54 20.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 1.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.623 ' N ' ' O ' ' A' ' 23' ' ' VAL . 6.3 t -91.86 44.52 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.762 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -147.33 22.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.793 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.1 m-85 -116.91 130.84 56.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 1.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -52.33 -16.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 1.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.616 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . 28.7 p -103.92 -176.96 3.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 1.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.702 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -87.18 155.78 19.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 1.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.018 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER 179.86 119.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 1.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.551 ' O ' HG13 ' A' ' 63' ' ' ILE . 24.0 m-20 -134.79 178.36 7.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 1.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.875 HD12 ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -117.28 147.32 42.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 1.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.93 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -130.16 114.17 15.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 1.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 1.28 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.4 t80 -117.12 125.5 51.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.679 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 19.6 mtmt 72.39 0.48 3.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 1.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.414 ' HA2' ' CD ' ' A' ' 36' ' ' GLU . . . 115.85 -3.33 21.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 1.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.927 ' HB3' HD11 ' A' ' 53' ' ' LEU . 14.5 tttt -94.87 108.45 20.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 1.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.62 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 5.6 p -101.98 117.54 35.03 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 1.0 110.021 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.614 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -146.72 149.0 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 1.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 1.013 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.2 m-20 -44.77 87.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.667 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -21.02 -39.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 1.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.802 ' N ' ' O ' ' A' ' 43' ' ' ASN . 4.9 tttp -71.32 6.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 1.013 ' N ' ' O ' ' A' ' 43' ' ' ASN . 8.4 t -90.24 83.97 6.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 1.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.838 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -39.91 -70.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.75 ' N ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -46.09 -58.74 3.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 1.0 110.99 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.802 ' O ' ' CE ' ' A' ' 40' ' ' LYS . . . -59.76 -10.57 13.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 1.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -110.48 -43.08 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 1.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.838 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.7 tpp -46.5 -47.24 19.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 1.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.466 ' OG ' ' NZ ' ' A' ' 40' ' ' LYS . 5.3 p -69.73 -27.07 64.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 1.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.28 HD22 ' CD2' ' A' ' 37' ' ' TYR . 1.2 mt -94.05 -89.59 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.532 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 58.27 141.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 1.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.044 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -127.37 -172.42 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 1.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.768 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 159.28 -87.72 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 1.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.642 ' CG ' ' O ' ' A' ' 57' ' ' GLN . 4.9 pt20 -43.92 82.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 1.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.701 ' O ' ' NE2' ' A' ' 7' ' ' HIS . . . 43.77 12.11 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 1.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.044 ' HB3' HG12 ' A' ' 55' ' ' VAL . 7.8 m -52.9 136.5 34.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 1.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.91 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 7.4 p-10 -98.99 145.58 26.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.858 ' O ' ' O ' ' A' ' 6' ' ' PHE . 28.1 m -146.38 175.53 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 1.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.93 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -130.58 137.83 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 1.0 110.394 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.657 HG12 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -109.94 150.66 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 109.326 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 1.067 HG23 ' HB2' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -132.66 144.27 50.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.412 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.004 HG11 ' HG2' ' A' ' 74' ' ' MET . 4.4 p -139.97 128.81 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 1.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 1.143 ' HA ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -144.67 122.05 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 1.0 109.334 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.616 ' HA3' ' CB ' ' A' ' 31' ' ' SER . . . 140.96 -163.96 26.53 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.544 1.153 . . . . 1.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.1 -51.83 28.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 1.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.652 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -62.37 -22.39 66.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.162 . . . . 1.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.998 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.8 pp20? -14.28 -58.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 1.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.708 ' HB2' ' OE2' ' A' ' 70' ' ' GLU . . . -60.65 -72.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 1.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.481 ' HG3' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -52.1 -46.32 65.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 1.0 110.318 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.726 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -46.75 -77.1 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 1.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.155 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -55.05 -37.06 66.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 1.0 110.971 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -45.21 -54.24 7.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 1.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.765 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -60.33 -59.48 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.657 HG21 HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -45.54 -56.3 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 1.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.155 HG23 ' O ' ' A' ' 74' ' ' MET . 6.5 t -51.87 -60.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 1.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.932 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -54.56 -46.31 73.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.638 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -61.77 -43.5 98.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 1.0 110.362 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.016 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.2 -47.33 35.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.725 HE22 HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -94.15 -14.52 25.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 1.0 110.271 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.932 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -82.42 -42.87 18.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 1.0 109.252 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.931 ' HG3' HD21 ' A' ' 21' ' ' LEU . 3.1 mm-40 -92.75 14.24 17.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.66 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 50.95 29.74 20.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 1.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.009 HD12 HD22 ' A' ' 21' ' ' LEU . 6.0 mt -93.27 -17.86 23.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 1.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.016 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -162.56 158.75 23.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 1.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.43 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -89.38 -176.16 4.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 1.0 110.293 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 1.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.72 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.541 0.21 . . . . 1.0 111.039 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.433 ' O ' HG12 ' A' ' 65' ' ' VAL . 20.3 mt-10 -143.95 159.42 42.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 1.012 ' CB ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.47 159.62 25.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.813 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 49.4 tptt -144.87 115.65 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 1.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.698 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.9 mp0 -86.93 155.66 20.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.843 ' O ' ' O ' ' A' ' 61' ' ' VAL . 45.9 m-85 -154.52 -177.24 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 1.104 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -148.56 135.13 19.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 1.0 109.638 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.119 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.6 mm -62.84 124.35 17.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 1.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 85' ' ' GLY . 16.2 m -122.57 1.68 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.508 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -84.92 -11.93 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.8 pt-20 45.71 16.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 110.346 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.905 HG21 ' HG3' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -68.96 -77.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 1.0 110.425 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.753 ' N ' HG22 ' A' ' 12' ' ' THR . . . 158.16 2.8 0.08 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.508 1.13 . . . . 1.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.746 HG12 HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER 50.95 67.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.548 0.793 . . . . 1.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.848 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.2 p80 -99.33 -179.56 4.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 1.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.811 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.44 -36.11 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 1.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.861 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.92 -72.49 0.27 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 110.318 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.905 ' HG3' HG21 ' A' ' 12' ' ' THR . 18.3 Cg_endo -75.02 -29.84 7.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 1.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.147 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -58.35 -52.67 64.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 1.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.895 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -71.79 -35.93 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 1.0 110.382 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.647 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.9 tt -39.92 -52.01 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -72.99 -51.82 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.147 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.98 -45.42 83.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 1.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.826 ' N ' ' O ' ' A' ' 20' ' ' THR . 4.5 pt20 -56.9 -39.43 74.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 1.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.811 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -85.45 -29.75 24.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 110.44 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.801 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -85.81 -30.7 22.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.815 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -93.32 39.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 109.984 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.796 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -145.56 24.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 1.0 109.31 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.821 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.1 m-85 -122.02 134.61 54.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -63.67 -4.52 3.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 1.0 109.268 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 1.1 m -94.41 176.69 6.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.699 ' N ' ' O ' ' A' ' 66' ' ' ASP . 98.1 m-20 -97.35 78.52 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.115 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -99.64 128.37 51.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 109.252 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.532 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 26.6 m-20 -140.04 175.48 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 1.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.864 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.63 140.5 49.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.951 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -124.85 113.1 17.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 1.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 1.248 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.2 t80 -115.45 122.54 46.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 1.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.719 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 1.6 mtmm 72.76 0.67 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.45 -0.54 18.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 1.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.951 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -95.72 106.11 18.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 1.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.653 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 1.7 p -102.09 113.37 26.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 1.0 109.95 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.844 HG13 ' HD3' ' A' ' 40' ' ' LYS . 4.7 m -144.56 144.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 1.001 ' O ' ' N ' ' A' ' 46' ' ' SER . 5.0 m-20 -40.62 86.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.673 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -16.49 -41.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.882 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -66.98 2.42 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 1.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 1.001 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.9 t -88.25 68.93 9.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.842 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -40.06 -52.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 1.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.481 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 14.5 ttp -40.67 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 1.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.581 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -55.82 -48.15 74.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.137 . . . . 1.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.1 t -60.24 -51.21 75.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 1.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.842 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -41.84 -53.24 3.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 1.0 111.019 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.1 p -59.84 -24.11 63.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 1.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.248 HD22 ' CD2' ' A' ' 37' ' ' TYR . 2.0 mt -95.08 -89.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 1.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.82 121.71 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.467 1.105 . . . . 1.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.014 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -107.84 -174.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 1.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.75 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 157.98 -87.84 0.12 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 1.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.634 ' O ' ' N ' ' A' ' 59' ' ' SER . 12.7 mt-30 -43.36 84.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.69 ' O ' ' NE2' ' A' ' 7' ' ' HIS . . . 43.08 11.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.567 1.167 . . . . 1.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.014 ' HB3' HG12 ' A' ' 55' ' ' VAL . 2.2 m -47.87 165.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 1.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.853 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 7.8 p-10 -130.38 146.37 51.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 1.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.843 ' O ' ' O ' ' A' ' 6' ' ' PHE . 35.3 m -148.31 173.16 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 1.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.839 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.62 133.76 47.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 110.367 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.772 HG12 HG21 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -104.6 151.92 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 1.115 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.8 m -139.13 152.18 47.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 1.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.908 HG11 ' HG2' ' A' ' 74' ' ' MET . 10.0 p -144.78 107.81 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 1.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.72 ' HA ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -124.81 114.3 19.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.657 ' O ' ' CG ' ' A' ' 70' ' ' GLU . . . 152.1 -131.78 3.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.478 1.111 . . . . 1.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -97.09 -66.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 1.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.658 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -39.03 -28.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.104 . . . . 1.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 1.168 ' O ' ' HG3' ' A' ' 74' ' ' MET . 4.4 mt-10 9.92 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.0 110.348 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -54.77 -74.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 1.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -38.97 -53.37 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.757 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -48.08 -80.01 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 1.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.178 ' O ' HG23 ' A' ' 78' ' ' VAL . 2.2 ppp? -51.7 -39.62 58.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 1.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.62 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -42.46 -65.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.795 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -49.42 -59.16 3.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 1.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.772 HG21 HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -45.73 -56.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 1.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.178 HG23 ' O ' ' A' ' 74' ' ' MET . 5.7 t -49.97 -60.79 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.993 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.25 -42.6 66.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 1.0 110.273 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.508 HG22 HD23 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -65.86 -51.47 58.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 1.0 110.41 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.898 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -43.55 -42.65 5.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 1.0 109.353 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -95.41 -16.93 21.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 1.0 110.285 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.993 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -80.63 -40.61 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 1.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.576 ' CD ' HD11 ' A' ' 21' ' ' LEU . 12.7 mm-40 -89.61 7.96 33.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 1.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.743 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 54.26 13.27 3.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.517 1.135 . . . . 1.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.119 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 2.7 tt -83.17 -6.84 59.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.104 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -161.17 158.17 27.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 1.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -90.52 -174.74 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 1.0 110.288 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.413 ' HA ' ' OE1' ' A' ' 82' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.838 ' H1 ' ' HB3' ' A' ' 70' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.539 0.209 . . . . 1.0 111.04 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' VAL . 6.1 mt-10 -152.44 -142.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 1.041 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -134.46 144.41 48.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.0 109.307 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.831 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 43.1 tptt -127.51 111.39 13.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 1.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.787 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 2.1 mp0 -80.87 161.36 24.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 1.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.967 ' CE1' HG13 ' A' ' 78' ' ' VAL . 88.9 m-85 -164.51 -174.71 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 1.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.897 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -147.08 141.45 26.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.17 . . . . 1.0 109.597 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.0 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -70.11 128.26 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.634 HG11 ' HB3' ' A' ' 88' ' ' GLU . 16.1 m -121.8 4.53 6.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 1.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.582 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -87.17 -19.21 28.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 1.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.6 pt-20 45.77 17.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 110.247 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.679 HG21 ' HG3' ' A' ' 18' ' ' PRO . 3.9 t -75.59 -57.19 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 1.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.766 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 136.53 18.41 0.71 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 1.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.843 HG12 HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 40.58 73.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 1.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.881 ' HD1' ' HB2' ' A' ' 17' ' ' ARG . 2.3 p80 -97.29 176.2 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 1.0 109.628 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.76 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.41 -35.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.881 ' HB2' ' HD1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -65.52 -72.79 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.867 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.01 -30.34 7.24 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 1.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.124 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -57.53 -53.95 52.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 1.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.834 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -72.53 -33.31 66.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 1.0 110.392 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.648 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -42.34 -51.21 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 1.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.89 HD23 HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -73.12 -51.56 17.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 1.0 109.317 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.124 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -57.61 -45.42 86.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 1.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.834 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.0 pt20 -56.94 -40.0 75.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 1.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.816 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -83.93 -24.28 30.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 1.0 110.431 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.811 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -87.52 -33.51 18.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 1.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.732 ' N ' ' O ' ' A' ' 23' ' ' VAL . 5.5 t -93.43 39.18 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 109.972 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.761 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -143.96 25.41 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 1.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.816 ' CZ ' ' O ' ' A' ' 25' ' ' THR . 22.2 m-85 -118.27 128.2 54.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 1.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -54.01 -14.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 1.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.604 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . 66.5 p -104.81 -175.46 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.623 ' O ' ' HA ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -86.44 154.36 21.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 1.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.144 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -179.05 116.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 1.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.642 ' O ' HG13 ' A' ' 63' ' ' ILE . 39.1 m-20 -134.7 178.52 6.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 1.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.883 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.77 143.12 47.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 1.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.938 ' N ' ' O ' ' A' ' 62' ' ' THR . 54.2 tt0 -128.51 111.56 13.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 1.0 110.232 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 1.007 ' CD2' HG13 ' A' ' 55' ' ' VAL . 1.9 t80 -116.83 120.69 39.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 1.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.728 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 3.5 mtmt 70.63 1.56 3.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 1.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.59 -14.93 9.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 1.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.864 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -79.55 102.75 9.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 0.756 . . . . 1.0 109.273 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.587 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 5.4 t -108.22 110.72 22.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.611 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -147.65 154.9 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 1.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 1.031 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -46.16 86.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 1.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.76 ' O ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -18.39 -38.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.879 ' N ' ' O ' ' A' ' 43' ' ' ASN . 8.1 tmtt? -74.33 8.73 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 1.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 1.031 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.3 OUTLIER -89.7 80.84 6.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 110.007 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.876 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -40.14 -62.11 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.622 ' N ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -40.0 -71.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 110.965 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.507 ' O ' ' HB2' ' A' ' 53' ' ' LEU . . . -54.17 -50.91 53.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 1.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.76 HG21 ' O ' ' A' ' 44' ' ' LEU . 2.4 t -61.79 -51.31 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 1.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.876 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.1 mmm -36.42 -62.92 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 1.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.4 p -67.07 -21.82 65.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 109.962 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.887 HD22 ' CD2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -92.75 -97.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 1.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.495 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 57.13 159.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 1.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.018 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -135.92 -169.7 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 1.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.766 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 163.71 -100.75 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 1.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.746 ' O ' ' N ' ' A' ' 59' ' ' SER . 4.8 pt20 -36.72 90.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 1.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.67 ' HA2' ' O ' ' A' ' 8' ' ' ILE . . . 36.31 17.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.496 1.122 . . . . 1.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.018 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.8 m -56.51 132.85 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 0.782 . . . . 1.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.873 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 3.5 p-10 -96.96 145.86 25.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.86 HG13 HG11 ' A' ' 55' ' ' VAL . 26.2 m -146.96 177.74 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.938 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -133.26 132.66 41.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.664 HG21 HG21 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -104.54 157.47 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 1.144 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.1 m -136.62 140.95 43.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.92 HG22 ' HA ' ' A' ' 70' ' ' GLU . 4.9 p -140.54 125.04 18.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 1.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -146.39 124.09 11.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.717 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 143.59 -149.7 21.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.443 1.09 . . . . 1.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.516 ' N ' ' HB3' ' A' ' 31' ' ' SER . . . -81.34 -48.66 11.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 1.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.689 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -63.13 -25.64 68.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 1.066 ' O ' ' HG3' ' A' ' 74' ' ' MET . 0.4 OUTLIER -4.93 -71.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 110.33 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -56.38 -75.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -45.35 -48.67 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 1.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.693 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -46.42 -80.51 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 1.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.066 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 2.2 ppp? -50.27 -42.62 52.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 1.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.601 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -40.29 -57.98 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.784 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -56.8 -60.77 3.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 1.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.664 HG21 HG21 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -44.6 -59.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 1.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 74' ' ' MET . 4.2 t -49.78 -60.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.928 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -53.58 -49.65 67.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 1.0 110.243 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.672 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -59.1 -44.37 91.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 1.0 110.397 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.979 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -47.47 -49.72 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 1.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.787 HE22 HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -92.57 -13.97 28.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.928 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -80.76 -39.48 26.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 80' ' ' THR . 5.4 mm-40 -95.98 12.9 28.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 56.9 13.5 8.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 1.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.0 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 3.0 mt -73.15 -42.12 63.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.979 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -142.02 163.7 32.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.634 ' HB3' HG11 ' A' ' 9' ' ' VAL . 1.0 OUTLIER -96.23 175.35 6.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 1.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.428 ' N ' ' HG2' ' A' ' 82' ' ' GLN . 2.0 tt0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 1.088 ' H2 ' ' HA ' ' A' ' 66' ' ' ASP . 3.5 mmt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.502 0.192 . . . . 1.0 110.957 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.757 ' O ' HG12 ' A' ' 65' ' ' VAL . 5.4 mt-10 -112.79 129.34 56.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 1.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.962 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -111.67 150.46 30.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 1.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.808 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 37.0 tptt -141.38 113.97 8.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 1.0 109.237 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.2 mp0 -84.43 154.33 22.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.954 ' O ' ' O ' ' A' ' 61' ' ' VAL . 66.1 m-85 -160.04 -177.69 6.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 1.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 1.031 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -143.41 138.33 29.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 1.0 109.566 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.831 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.7 mm -64.69 121.88 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.573 HG22 ' CA ' ' A' ' 87' ' ' ALA . 15.4 m -116.56 4.02 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 1.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.537 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -81.43 -19.16 43.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 1.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 13.8 pt-20 45.48 18.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 1.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.897 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -80.63 -63.69 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.0 110.37 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.795 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 142.77 21.25 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 1.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.761 HG12 HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 35.94 71.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 1.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.897 ' CD2' HG23 ' A' ' 12' ' ' THR . 2.6 p80 -98.1 178.94 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 1.0 109.601 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.888 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.15 -34.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 1.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.865 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -67.22 -73.01 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 1.0 110.335 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.95 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.04 -27.49 9.91 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.494 1.786 . . . . 1.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.053 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -60.77 -48.83 80.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 1.139 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.31 -39.75 65.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 1.0 110.395 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.606 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -40.17 -57.18 1.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.818 HD23 HD13 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -67.82 -65.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.139 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 3.0 p -45.67 -53.17 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 1.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.759 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -50.76 -37.62 43.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.334 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.774 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -84.05 -25.66 29.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 110.416 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.755 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -85.71 -36.19 20.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.699 ' N ' ' O ' ' A' ' 23' ' ' VAL . 8.8 p -93.51 45.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 110.045 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.754 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -147.98 23.94 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.803 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.4 m-85 -117.62 135.92 53.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -59.24 -12.08 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.68 ' HB2' ' HA3' ' A' ' 67' ' ' GLY . 89.7 p -108.23 -176.16 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 1.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.803 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -87.76 154.91 20.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 1.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.02 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -176.97 115.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.696 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -128.91 179.16 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 1.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.908 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -119.83 142.0 49.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.838 ' O ' ' N ' ' A' ' 62' ' ' THR . 11.0 tm-20 -123.02 113.11 18.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 1.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.865 ' HB2' HG12 ' A' ' 61' ' ' VAL . 5.8 t80 -111.07 171.06 7.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 1.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.608 ' N ' ' CG ' ' A' ' 37' ' ' TYR . 19.4 mtpt -57.19 55.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 1.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.809 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -166.31 -43.23 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 1.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.934 ' HE2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER 172.25 -176.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 1.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.592 ' HB3' ' CG ' ' A' ' 36' ' ' GLU . 10.1 p -129.42 124.27 33.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 1.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.772 ' O ' ' N ' ' A' ' 44' ' ' LEU . 4.5 m -145.94 152.12 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 1.196 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.2 m120 -47.61 75.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 1.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.772 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -0.12 -45.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 1.0 109.293 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.196 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -68.57 2.97 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.844 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.3 t -87.27 83.31 7.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 1.0 109.972 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.824 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -40.2 -58.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 1.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.577 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -39.88 -74.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 110.976 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.622 ' HA3' HG21 ' A' ' 42' ' ' VAL . . . -54.28 -43.91 75.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.664 HG21 ' O ' ' A' ' 44' ' ' LEU . 1.2 t -63.02 -49.76 82.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 0.76 . . . . 1.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.824 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -42.06 -59.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.24 -11.43 60.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 1.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.934 HD12 ' HE2' ' A' ' 40' ' ' LYS . 5.0 tt -92.2 -94.94 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 1.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.547 ' N ' ' CD2' ' A' ' 53' ' ' LEU . . . 58.42 127.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 1.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.07 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -125.4 -175.22 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 1.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.795 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 157.86 -83.9 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 1.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.662 ' CG ' ' O ' ' A' ' 57' ' ' GLN . 5.2 pt20 -46.36 81.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 1.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.761 ' O ' ' NE2' ' A' ' 7' ' ' HIS . . . 46.08 9.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 1.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.07 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.7 m -49.2 132.21 19.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 1.0 110.016 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.858 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 13.6 p-10 -96.43 147.76 23.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.954 ' O ' ' O ' ' A' ' 6' ' ' PHE . 34.9 m -149.71 174.02 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 1.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.838 ' N ' ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -132.49 123.13 26.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 1.0 110.358 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.846 HG12 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -95.37 144.13 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 1.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 1.02 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.7 m -130.0 140.23 50.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.098 HG11 ' HG2' ' A' ' 74' ' ' MET . 6.6 p -130.29 112.11 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 1.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 1.088 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -121.09 123.92 43.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.68 ' HA3' ' HB2' ' A' ' 31' ' ' SER . . . 130.53 -163.96 23.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 1.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -66.02 -65.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 1.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.688 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -39.36 -29.65 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.84 ' HA ' HG22 ' A' ' 65' ' ' VAL . 8.3 mt-10 -3.0 -73.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 1.0 110.335 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.768 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -55.69 -72.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 1.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -47.86 -49.95 27.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 1.0 110.286 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.72 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -46.24 -79.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.151 . . . . 1.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.111 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -55.16 -32.53 62.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 1.0 111.012 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -47.12 -54.95 9.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 1.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.802 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -62.85 -59.07 5.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.846 HG21 HG12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.91 -55.33 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 1.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.111 HG23 ' O ' ' A' ' 74' ' ' MET . 21.8 t -53.43 -60.84 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.931 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.34 -45.55 69.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.668 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -62.67 -48.99 76.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 1.0 110.401 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.049 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -45.0 -43.55 9.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.359 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.488 HE22 HG12 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -96.01 -17.06 21.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 1.0 110.334 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.931 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.4 -39.69 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 4.8 mm-40 -97.31 20.16 11.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 1.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 44.78 26.17 1.07 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.149 . . . . 1.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.95 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.5 mt -90.18 -7.3 53.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 0.761 . . . . 1.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.049 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -170.01 159.13 7.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 1.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.532 ' HB3' HG11 ' A' ' 9' ' ' VAL . 1.1 pt-20 -95.54 -175.98 3.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 1.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 110.313 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.853 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 8.1 mtt . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.484 0.183 . . . . 1.0 110.977 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 65' ' ' VAL . 23.7 mt-10 -148.64 175.88 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.984 ' CB ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.9 157.75 30.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.83 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 49.9 tptt -139.03 114.68 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 0.5 OUTLIER -87.28 150.47 23.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 110.267 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.857 ' HZ ' HG22 ' A' ' 78' ' ' VAL . 54.1 m-85 -148.85 -175.65 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 1.1 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -151.97 137.67 17.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 109.624 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.958 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.8 mm -65.65 125.01 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 85' ' ' GLY . 15.8 m -123.24 14.36 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB3' HD12 ' A' ' 86' ' ' LEU . . . -102.32 -17.25 15.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.7 pt-20 47.21 17.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 1.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.817 HG23 ' CD2' ' A' ' 15' ' ' HIS . 1.3 t -71.31 -61.36 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 1.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.718 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 134.57 34.77 0.27 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 1.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.857 HG13 HD21 ' A' ' 86' ' ' LEU . 0.8 OUTLIER 29.96 75.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 1.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.972 ' HD1' ' HB2' ' A' ' 17' ' ' ARG . 2.5 p80 -98.42 172.95 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 1.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.867 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.15 -32.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 1.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.972 ' HB2' ' HD1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -64.1 -76.12 0.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 1.0 110.304 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.984 ' CB ' HD13 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.06 -26.7 10.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 1.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.059 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -61.15 -49.33 77.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 1.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 1.06 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.34 -41.48 63.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 1.0 110.359 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.772 HD13 ' HB3' ' A' ' 84' ' ' GLU . 3.4 tt -39.92 -54.78 2.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -68.42 -65.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 1.0 109.339 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.06 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 2.6 p -46.84 -51.95 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 1.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.784 ' N ' ' O ' ' A' ' 20' ' ' THR . 2.7 pt20 -51.24 -38.03 50.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.781 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -86.42 -34.69 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 1.0 110.462 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.758 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -79.46 -29.42 41.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 1.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.795 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -97.5 47.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 1.0 109.974 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.765 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -154.56 23.9 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 1.0 109.248 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.856 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.7 m-85 -120.15 135.11 55.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -66.11 -5.27 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 1.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.538 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -94.83 178.24 5.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 1.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.871 ' N ' ' O ' ' A' ' 66' ' ' ASP . 63.7 m-20 -96.53 88.02 4.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 1.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.077 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -110.27 127.08 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.593 ' O ' HG13 ' A' ' 63' ' ' ILE . 27.6 m-20 -140.48 176.29 8.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 1.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.901 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.92 145.15 45.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 1.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 1.106 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -130.51 112.44 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 1.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 1.358 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.1 t80 -113.68 124.71 52.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 1.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.692 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER 61.76 16.57 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 103.43 11.49 33.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.092 . . . . 1.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 1.106 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -100.9 96.07 7.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 0.749 . . . . 1.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 3.7 p -97.99 107.33 19.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.0 109.948 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.695 HG23 ' HB3' ' A' ' 46' ' ' SER . 1.0 OUTLIER -145.96 143.25 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.981 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.3 m120 -41.36 88.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 1.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.641 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -18.39 -39.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.875 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -66.16 0.95 1.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 1.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.981 ' N ' ' O ' ' A' ' 43' ' ' ASN . 8.3 t -86.95 67.44 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.762 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.3 tp -39.81 -44.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 1.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.3 ttp -47.12 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 1.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -53.06 -42.69 61.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 1.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.569 HG12 ' N ' ' A' ' 51' ' ' MET . 1.1 t -63.06 -57.45 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 1.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.762 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -38.14 -58.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 110.985 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.4 p -55.36 -30.47 60.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 1.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.358 HD22 ' CD2' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -94.82 -88.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 1.0 109.259 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 50' ' ' VAL . . . 60.1 133.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 1.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.085 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -111.12 -175.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 1.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.718 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 162.84 -89.32 0.11 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 1.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.767 ' O ' ' N ' ' A' ' 59' ' ' SER . 7.0 pt20 -43.23 90.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 0.816 . . . . 1.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.594 ' O ' ' NE2' ' A' ' 7' ' ' HIS . . . 35.94 16.58 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 1.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.085 ' HB3' HG12 ' A' ' 55' ' ' VAL . 11.7 m -53.84 172.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 1.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.851 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 17.7 p-10 -133.5 146.65 51.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 1.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.869 HG11 HG21 ' A' ' 55' ' ' VAL . 27.5 m -148.1 176.79 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 1.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.95 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -136.14 135.7 39.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 1.0 110.42 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.806 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -106.97 156.4 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 1.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 1.077 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -137.4 149.58 47.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 1.0 110.415 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.894 HG11 ' HG2' ' A' ' 74' ' ' MET . 0.3 OUTLIER -142.32 118.08 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 1.0 109.258 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.871 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -139.07 121.11 15.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.59 ' O ' ' CG ' ' A' ' 70' ' ' GLU . . . 142.68 -133.32 5.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 1.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.582 ' C ' ' HG3' ' A' ' 70' ' ' GLU . . . -94.5 -60.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 1.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -42.58 -47.67 5.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.715 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER 21.06 -86.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 1.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.71 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -51.5 -68.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -50.37 -48.7 55.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 1.0 110.312 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.731 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -48.17 -79.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.083 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.39 -32.31 64.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 1.0 110.975 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -46.82 -55.18 8.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.853 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -61.39 -54.38 44.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 1.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.806 HG21 HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -47.93 -58.23 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.083 HG23 ' O ' ' A' ' 74' ' ' MET . 10.7 t -48.87 -60.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 1.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.979 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.75 -38.39 64.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 1.0 110.321 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.713 HG23 HD22 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -69.57 -57.21 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 1.0 110.382 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.946 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -38.02 -42.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.556 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -95.65 -18.65 20.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 1.0 110.27 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.979 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -72.7 -32.32 65.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 1.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.772 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -104.52 16.62 25.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.57 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 47.56 19.09 0.72 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 1.0 111.009 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.984 HD13 ' CB ' ' A' ' 18' ' ' PRO . 1.4 tp -91.04 1.1 57.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 1.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.1 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -174.16 156.12 2.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 1.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.435 ' HG2' HG11 ' A' ' 9' ' ' VAL . 11.1 mt-10 -60.39 -175.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 1.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 1.0 110.284 -179.941 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 1.08 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 14.0 mtp . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.532 0.206 . . . . 1.0 111.003 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 65' ' ' VAL . 18.4 mt-10 -149.88 -177.02 5.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 1.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.999 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -123.58 145.6 48.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.802 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 35.8 tptt -124.94 110.82 14.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 1.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.77 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 3.3 mp0 -84.34 143.13 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.993 ' O ' ' O ' ' A' ' 61' ' ' VAL . 23.4 m-85 -146.52 178.14 8.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 1.0 111.046 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 1.083 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -139.94 135.39 32.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 1.0 109.571 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 86' ' ' LEU . 3.5 mm -62.92 125.95 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 1.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 85' ' ' GLY . 13.1 m -122.86 4.87 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -88.96 -15.29 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 1.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 12.9 pt-20 44.72 17.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 110.261 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.969 ' HG1' ' HE2' ' A' ' 15' ' ' HIS . 6.5 t -70.78 -56.85 5.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 1.0 110.393 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.828 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 132.87 18.6 1.08 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 1.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.785 HG12 HG23 ' A' ' 55' ' ' VAL . 0.4 OUTLIER 37.08 65.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 1.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.969 ' HE2' ' HG1' ' A' ' 12' ' ' THR . 3.3 p80 -95.5 179.08 5.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.617 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.837 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -41.16 -33.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 1.011 ' HB2' ' HD3' ' A' ' 18' ' ' PRO . 4.1 mmm180 -69.58 -70.39 0.35 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 1.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 1.011 ' HD3' ' HB2' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -74.99 -27.69 9.82 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 1.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.05 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -61.16 -49.54 76.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 1.129 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -71.71 -39.92 69.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 1.0 110.387 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.597 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.1 tt -39.86 -58.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 1.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.799 HD23 HD13 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -67.75 -65.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.129 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 4.6 p -45.81 -53.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.779 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.0 OUTLIER -49.78 -38.19 33.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 110.299 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.847 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.93 -26.6 27.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 1.0 110.408 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.782 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -86.96 -34.34 19.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 1.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.8 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -91.92 43.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 1.0 110.015 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.859 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.28 21.11 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 1.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.874 ' HZ ' ' HB3' ' A' ' 76' ' ' ALA . 21.3 m-85 -117.24 142.84 46.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -72.62 -1.28 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 1.0 109.216 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.517 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -100.25 178.12 4.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 1.0 110.036 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.808 ' N ' ' O ' ' A' ' 66' ' ' ASP . 16.3 m-20 -96.12 88.47 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 1.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.063 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -110.69 128.28 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 1.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.569 ' O ' HG13 ' A' ' 63' ' ' ILE . 20.0 m-20 -138.39 176.56 8.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 1.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.941 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -120.46 139.58 52.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 1.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.914 ' O ' ' N ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -125.22 120.29 30.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 1.0 110.275 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 1.272 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.4 t80 -123.7 125.13 44.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 1.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.638 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 13.7 mtpt 73.71 -2.24 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 118.66 -1.33 15.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 1.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.883 ' HB3' HD11 ' A' ' 53' ' ' LEU . 13.6 tttt -97.26 108.84 21.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 1.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.646 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 2.9 t -103.58 118.78 37.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 1.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 46' ' ' SER . 1.0 OUTLIER -146.34 142.78 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 1.0 109.221 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.968 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.6 m120 -42.64 87.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 1.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.633 ' C ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -18.73 -37.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 109.286 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.911 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -65.91 -2.37 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 1.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.968 ' N ' ' O ' ' A' ' 43' ' ' ASN . 30.3 t -87.09 68.87 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.795 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.3 tp -39.95 -55.06 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 1.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.534 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 8.8 ttp -40.0 -73.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 1.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.746 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -56.74 -51.85 54.33 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.442 1.089 . . . . 1.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -55.82 -51.8 55.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 1.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.795 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -42.28 -52.32 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 1.0 111.034 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -25.61 68.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 1.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.272 HD22 ' CD2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -92.36 -86.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 1.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.652 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 55.35 146.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 1.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.005 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -127.9 -171.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 1.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.828 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 160.23 -94.89 0.13 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.14 . . . . 1.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.658 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.7 mt-30 -39.45 85.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 1.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.673 ' O ' ' NE2' ' A' ' 7' ' ' HIS . . . 41.72 12.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 1.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.005 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.1 m -54.24 138.58 38.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 1.0 109.985 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.831 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 6.9 p-10 -100.85 148.48 24.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 1.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.993 ' O ' ' O ' ' A' ' 6' ' ' PHE . 30.8 m -148.3 -178.6 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 1.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.914 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -137.28 131.56 32.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 110.399 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.94 HG12 HG21 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -102.77 152.76 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 1.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 1.063 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 m -135.68 148.51 48.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 1.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.095 HG11 ' HG2' ' A' ' 74' ' ' MET . 4.5 p -146.96 120.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 1.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 1.08 ' HA ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -140.59 120.71 13.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.552 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 146.54 -143.96 12.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 1.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.586 ' C ' ' HG3' ' A' ' 70' ' ' GLU . . . -88.9 -48.42 7.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 0.745 . . . . 1.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.655 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -55.04 -37.33 66.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 1.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.777 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER 11.58 -88.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 110.349 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.695 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -48.62 -70.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 1.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 69' ' ' ASP . 2.1 tp10 -45.67 -52.07 11.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 1.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.763 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -50.29 -80.24 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.156 . . . . 1.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.175 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -52.72 -33.97 50.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 0.729 . . . . 1.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -45.75 -58.79 3.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 1.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.874 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -57.49 -57.15 13.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 1.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.94 HG21 HG12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -48.19 -56.41 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.175 HG23 ' O ' ' A' ' 74' ' ' MET . 14.1 t -51.14 -60.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.894 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -54.18 -48.15 71.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 1.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.599 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -60.32 -52.21 66.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 1.0 110.379 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.008 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -42.6 -44.04 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 109.357 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -95.61 -18.99 20.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 1.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.894 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -79.34 -43.21 23.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 80' ' ' THR . 6.3 mm-40 -91.74 13.19 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 1.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.621 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 53.12 16.13 4.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.423 1.077 . . . . 1.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.821 ' O ' HD12 ' A' ' 8' ' ' ILE . 7.5 mt -83.68 3.57 32.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 1.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.083 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -177.34 160.81 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 1.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.618 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -101.55 175.91 5.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 1.0 110.297 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 1.0 110.331 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.731 ' H1 ' ' HG2' ' A' ' 70' ' ' GLU . 5.9 mtt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.499 0.19 . . . . 1.0 110.974 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 65' ' ' VAL . 40.6 mt-10 -148.63 179.31 7.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 1.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 1.013 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -122.48 160.54 25.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 1.0 109.303 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.796 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.0 tptt -142.54 113.73 7.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 1.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.691 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 2.4 mp0 -90.04 151.32 21.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 1.0 110.34 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.988 ' O ' ' O ' ' A' ' 61' ' ' VAL . 44.5 m-85 -149.05 -177.8 6.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 1.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.968 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -144.47 137.85 27.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 1.0 109.596 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.198 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.2 mm -62.05 125.43 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 1.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 85' ' ' GLY . 15.8 m -125.83 2.19 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 1.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.632 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -84.17 -18.2 37.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 12.2 pt-20 47.0 14.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.758 HG23 ' CD2' ' A' ' 15' ' ' HIS . 1.3 t -74.84 -60.05 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 1.0 110.449 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.728 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 140.04 17.94 0.45 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 1.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.93 HG12 HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER 46.91 74.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 1.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.878 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 2.4 p80 -100.93 172.12 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.633 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.923 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.0 -32.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.924 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -62.52 -76.43 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 1.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.924 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -75.0 -27.53 9.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 1.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.995 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -63.66 -48.76 75.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 1.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 1.086 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -74.3 -40.15 62.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 1.0 110.397 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.038 HD22 ' HG2' ' A' ' 84' ' ' GLU . 3.2 tt -40.98 -53.14 3.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 1.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.682 HD23 HD13 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -69.68 -65.35 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 1.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.086 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 3.0 p -47.44 -50.71 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 1.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.777 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -52.44 -38.91 60.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 1.0 110.296 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.734 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -83.79 -33.46 24.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 1.0 110.37 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.903 ' CB ' HD22 ' A' ' 44' ' ' LEU . . . -79.39 -33.27 42.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.763 ' N ' ' O ' ' A' ' 23' ' ' VAL . 25.7 p -91.9 49.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 110.024 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.746 ' CD ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -157.99 24.49 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 1.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.814 ' HZ ' ' HB3' ' A' ' 76' ' ' ALA . 22.6 m-85 -120.85 136.17 54.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -67.51 -4.3 11.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 1.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.505 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -93.17 178.0 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 1.0 110.016 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.815 ' N ' ' O ' ' A' ' 66' ' ' ASP . 22.5 m-20 -95.3 76.66 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 1.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.064 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -100.21 128.19 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 1.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.673 ' O ' HG13 ' A' ' 63' ' ' ILE . 27.9 m-20 -136.74 175.72 9.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 1.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.146 HD13 ' CD1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -121.09 144.89 48.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 1.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 1.02 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -126.48 98.18 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 110.322 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 1.146 ' CD1' HD13 ' A' ' 35' ' ' LEU . 5.9 m-30 -104.88 145.29 30.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.792 ' HB2' HD21 ' A' ' 53' ' ' LEU . 17.3 mtmt 50.85 20.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 1.0 109.322 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 37' ' ' TYR . . . 87.61 37.31 8.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 1.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 1.02 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -135.86 109.4 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 1.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.654 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 1.1 p -95.58 114.69 26.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.0 109.991 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.663 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -145.88 142.73 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 1.0 109.326 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.95 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.3 m120 -40.06 86.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.903 HD22 ' CB ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -19.72 -39.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 1.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.831 ' N ' ' O ' ' A' ' 43' ' ' ASN . 5.6 ttmt -62.46 -3.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.95 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.4 t -87.4 61.77 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 1.0 110.054 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.837 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.4 tp -40.07 -49.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 1.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.453 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 9.4 ttp -41.38 -75.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.574 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -53.2 -45.91 63.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 1.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.764 ' CG2' HD21 ' A' ' 35' ' ' LEU . 1.1 t -62.97 -49.88 81.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.837 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -41.04 -58.68 1.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 1.0 111.025 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 p -62.08 -17.72 58.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.894 HD12 ' CE ' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -93.14 -91.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 1.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 56.36 150.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.573 1.17 . . . . 1.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.069 HG22 ' CD2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -134.36 -174.85 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 1.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.882 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . 170.33 -80.35 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 1.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.7 ' C ' ' H ' ' A' ' 59' ' ' SER . 4.4 pt20 -40.0 72.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 1.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.882 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . 45.89 5.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.14 . . . . 1.0 111.045 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.745 ' CB ' HG12 ' A' ' 55' ' ' VAL . 75.5 m -41.27 165.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 1.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.73 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.2 p30 -111.89 158.1 19.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 1.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.988 ' O ' ' O ' ' A' ' 6' ' ' PHE . 30.3 m -150.97 178.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.862 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -148.95 139.1 22.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 1.0 110.433 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.942 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -116.06 157.3 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 1.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 1.064 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.8 m -139.72 148.27 42.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 110.452 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.057 HG11 ' HG2' ' A' ' 74' ' ' MET . 4.9 p -143.73 107.27 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.815 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -129.42 120.58 25.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.648 ' O ' ' CD ' ' A' ' 70' ' ' GLU . . . 146.14 -129.98 3.56 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 1.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.505 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . -97.41 -67.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 1.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.652 ' O ' ' N ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -36.67 -37.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 1.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.758 ' HA ' HG22 ' A' ' 65' ' ' VAL . 3.7 mt-10 15.79 -82.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 1.0 110.349 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.652 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -55.28 -73.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -43.61 -51.03 7.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 1.0 110.257 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.708 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -48.58 -78.8 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 1.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.12 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.84 -31.67 64.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 1.0 110.924 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -47.4 -56.98 5.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 1.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.814 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -60.95 -56.07 25.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 1.0 109.346 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.942 HG21 HG21 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.35 -58.17 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.12 HG23 ' O ' ' A' ' 74' ' ' MET . 20.2 t -48.43 -61.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 1.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.93 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -53.74 -37.53 63.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.0 110.345 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.64 ' O ' ' CD ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -69.49 -56.14 8.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 1.0 110.405 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.871 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -39.06 -42.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 1.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.583 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -95.68 -16.16 22.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.93 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -76.98 -37.36 55.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 1.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 1.038 ' HG2' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -93.62 3.94 54.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.866 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 60.87 4.82 4.69 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 1.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.198 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 1.5 tt -74.13 -15.11 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 1.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.968 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -156.35 164.57 38.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 1.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.8 ' HG2' HG11 ' A' ' 9' ' ' VAL . 15.2 mt-10 -72.7 -168.31 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 1.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 1.0 110.284 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 1.156 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 3.1 mtm . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.494 0.188 . . . . 1.0 110.989 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -148.0 170.84 16.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 1.0 110.259 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 1.036 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.7 150.7 41.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 1.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.812 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.0 tptt -133.21 112.9 12.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.749 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 0.9 OUTLIER -85.09 156.39 21.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 1.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.825 ' HE2' HG13 ' A' ' 78' ' ' VAL . 69.9 m-85 -155.8 -176.28 5.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.929 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -146.03 136.43 23.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 1.0 109.557 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.102 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 2.9 mm -64.43 124.02 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 1.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.827 HG11 ' HG2' ' A' ' 88' ' ' GLU . 14.1 m -121.22 2.38 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 1.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -86.95 -16.45 35.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 7.8 pt-20 46.43 15.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 1.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.843 ' HG1' ' HE2' ' A' ' 15' ' ' HIS . 6.6 t -67.94 -57.36 6.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 1.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.797 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 135.88 12.2 1.18 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.477 1.111 . . . . 1.0 111.037 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.728 HG12 HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER 44.06 68.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.415 0.715 . . . . 1.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.866 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.5 p80 -97.84 176.92 5.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 1.0 109.592 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.74 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.5 -35.2 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.864 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.91 -72.52 0.27 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 1.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.866 ' HD3' ' CE1' ' A' ' 15' ' ' HIS . 18.3 Cg_endo -74.99 -31.39 6.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 1.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.125 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -56.83 -53.71 54.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.901 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -72.34 -35.1 68.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 1.0 110.379 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.642 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.8 tt -39.88 -51.67 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 1.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.823 HD23 HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -73.63 -51.76 15.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.125 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -57.39 -44.83 85.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 1.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.839 ' N ' ' O ' ' A' ' 20' ' ' THR . 6.7 pt20 -58.45 -39.37 79.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 1.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.767 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.69 -28.23 26.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 1.0 110.348 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.804 ' HB1' ' CD1' ' A' ' 33' ' ' ILE . . . -83.91 -35.61 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 1.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.718 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -91.76 45.59 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 1.0 110.002 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.81 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -149.49 21.05 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.845 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.4 m-85 -118.08 137.38 52.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 1.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -63.1 -5.76 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 1.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.521 ' OG ' ' CA ' ' A' ' 67' ' ' GLY . 0.5 OUTLIER -98.11 174.2 6.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 110.029 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.871 ' N ' ' O ' ' A' ' 66' ' ' ASP . 3.2 m-20 -95.17 92.88 7.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 1.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.093 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -114.52 127.67 71.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 1.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.577 ' O ' HG13 ' A' ' 63' ' ' ILE . 36.0 m-20 -138.04 176.19 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 1.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.879 HD12 ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -118.74 143.2 47.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 1.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.982 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -128.41 112.95 14.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 1.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 1.262 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.3 t80 -114.16 123.35 49.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 1.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.676 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 16.5 mtmt 73.38 -1.3 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 1.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.64 -2.42 13.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 1.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.982 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -93.63 107.4 19.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 1.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.663 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 3.1 p -102.39 114.36 28.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 1.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.815 HG13 ' HD3' ' A' ' 40' ' ' LYS . 4.3 m -145.51 145.4 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 1.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 1.006 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.9 m-20 -41.94 86.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 1.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.655 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -17.45 -41.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.863 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -66.49 1.55 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 1.006 ' N ' ' O ' ' A' ' 43' ' ' ASN . 6.0 t -88.53 68.6 8.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 1.0 109.949 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.855 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -40.05 -51.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.26 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.478 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 12.6 ttp -40.01 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 1.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.537 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -54.75 -47.49 71.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 1.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.1 t -60.06 -53.33 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 1.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.855 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.3 tpp -39.7 -54.48 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.2 p -58.93 -26.48 64.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.262 HD22 ' CD2' ' A' ' 37' ' ' TYR . 1.8 mt -92.74 -87.34 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 1.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.42 125.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 1.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.994 HG12 ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -108.91 -173.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 1.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.797 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 159.62 -92.15 0.12 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 1.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.679 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.2 mt-30 -36.56 81.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 1.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.732 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . 41.69 11.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.097 . . . . 1.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.994 ' CB ' HG12 ' A' ' 55' ' ' VAL . 13.0 m -47.63 173.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 1.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.905 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.5 p30 -135.05 146.05 48.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 1.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.81 HG13 HG11 ' A' ' 55' ' ' VAL . 27.7 m -148.02 173.55 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.868 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -126.94 146.82 50.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 1.0 110.386 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.645 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -118.17 154.32 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 1.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 1.093 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -137.95 149.43 46.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 1.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.123 HG11 ' HG2' ' A' ' 74' ' ' MET . 5.9 p -143.97 123.03 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 1.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 1.156 ' HA ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -138.24 123.94 19.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.596 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 140.56 -142.31 12.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 1.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.597 ' C ' ' HG3' ' A' ' 70' ' ' GLU . . . -92.13 -47.56 7.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 1.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.687 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -56.23 -26.76 52.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 1.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.803 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER 0.79 -79.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 1.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.589 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -55.36 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 1.0 109.342 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -41.66 -51.04 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 1.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.787 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -50.07 -81.03 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 1.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.172 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -53.84 -32.91 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 1.0 110.962 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -47.17 -58.46 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.767 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -57.21 -57.02 14.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.645 HG21 HG21 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.57 -57.19 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 1.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.172 HG23 ' O ' ' A' ' 74' ' ' MET . 9.7 t -50.06 -59.92 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 1.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.93 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -55.66 -46.83 77.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.602 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -60.12 -45.1 94.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 1.0 110.414 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.009 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.39 -47.12 37.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 1.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.507 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 3.7 pt20 -94.5 -11.61 29.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 1.0 110.321 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.93 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -84.38 -39.9 18.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 1.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.547 ' CD ' HD11 ' A' ' 21' ' ' LEU . 10.2 mm-40 -92.66 7.94 41.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 1.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.669 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 61.38 6.83 8.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 1.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.102 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.6 mt -67.45 -41.35 84.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 1.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.009 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -138.6 176.24 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.827 ' HG2' HG11 ' A' ' 9' ' ' VAL . 18.2 mt-10 -80.02 -170.68 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 1.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' CG ' ' HB3' ' A' ' 66' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.476 0.179 . . . . 1.0 111.009 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.843 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -98.28 97.68 9.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 1.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 1.023 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -96.63 147.55 23.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.802 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.8 tptt -140.39 114.57 9.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 1.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.742 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 4.4 mp0 -83.46 160.05 21.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 110.358 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.811 ' O ' ' O ' ' A' ' 61' ' ' VAL . 76.4 m-85 -160.31 -176.46 5.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 1.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.902 ' HA ' ' HA ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -147.97 135.62 20.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.593 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.943 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -63.63 125.73 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 85' ' ' GLY . 17.3 m -122.23 1.78 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 1.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.514 ' CB ' ' HA ' ' A' ' 86' ' ' LEU . . . -88.51 -15.98 33.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 1.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 10.5 pt-20 45.52 17.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 110.276 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.911 ' HG1' ' HE2' ' A' ' 15' ' ' HIS . 7.4 t -67.2 -54.89 16.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 1.0 110.424 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.749 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 133.46 10.03 1.96 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.492 1.12 . . . . 1.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.756 HD12 ' CD2' ' A' ' 86' ' ' LEU . 0.2 OUTLIER 46.7 65.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.569 0.805 . . . . 1.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.93 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.2 p80 -94.86 178.42 5.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 1.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.755 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -41.7 -33.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.978 ' HB2' ' HD3' ' A' ' 18' ' ' PRO . 7.8 mmm180 -67.82 -71.4 0.32 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.978 ' HD3' ' HB2' ' A' ' 17' ' ' ARG . 18.5 Cg_endo -74.93 -30.62 7.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 1.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.141 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -57.79 -54.67 44.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 1.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.875 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -71.31 -35.58 71.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 110.387 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.66 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.6 tt -39.92 -52.11 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 1.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.804 HD23 HD13 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -73.15 -53.0 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 1.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.141 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.42 -44.67 80.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.84 ' N ' ' O ' ' A' ' 20' ' ' THR . 4.8 pt20 -58.26 -39.12 78.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.752 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -85.26 -30.45 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 110.407 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.812 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.79 -31.55 23.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 1.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.781 ' N ' ' O ' ' A' ' 23' ' ' VAL . 2.3 p -93.08 42.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 1.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.806 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.18 21.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.274 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.806 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 21.7 m-85 -117.62 135.54 53.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 1.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -66.54 -4.49 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' A' ' 69' ' ' ASP . 14.5 m -97.99 177.67 5.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 110.028 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.834 ' N ' ' O ' ' A' ' 66' ' ' ASP . 1.1 m-20 -93.33 95.92 9.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 1.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.08 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -120.17 125.83 74.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 1.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.56 ' O ' HG13 ' A' ' 63' ' ' ILE . 20.8 m-20 -140.64 175.81 9.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 1.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.938 HD12 ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -118.61 146.89 44.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 109.358 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.938 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -131.61 116.63 17.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 1.0 110.302 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.762 ' CB ' HG12 ' A' ' 61' ' ' VAL . 3.8 t80 -115.95 118.62 33.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 1.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.59 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 19.1 mtmt 71.02 5.36 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.348 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.425 ' C ' ' HG2' ' A' ' 36' ' ' GLU . . . 117.18 -7.82 16.33 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 1.0 111.03 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.937 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 4.1 tmmm? -85.93 101.1 12.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 1.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.607 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 2.6 t -101.73 115.31 30.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 1.0 110.004 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.682 ' O ' ' N ' ' A' ' 44' ' ' LEU . 5.8 m -147.88 144.17 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 1.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.976 ' O ' ' N ' ' A' ' 46' ' ' SER . 4.8 m120 -41.54 85.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 1.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.682 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -15.34 -42.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.901 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -64.97 0.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 1.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.976 ' N ' ' O ' ' A' ' 43' ' ' ASN . 13.7 t -87.46 78.55 8.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 1.0 110.055 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.83 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -39.93 -56.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 1.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.592 ' HE2' ' H ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -40.82 -73.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 1.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.592 ' H ' ' HE2' ' A' ' 48' ' ' MET . . . -57.19 -41.34 92.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 1.0 110.99 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.62 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.7 OUTLIER -65.29 -57.01 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 1.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.83 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.3 tpp -40.09 -44.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 1.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.9 p -73.81 -25.4 60.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 1.0 109.965 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.789 HD21 HD21 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -87.87 -60.19 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.753 ' N ' HD12 ' A' ' 53' ' ' LEU . . . 17.82 104.42 0.0 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 1.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.949 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -94.32 -175.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 1.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.793 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . 167.75 -94.33 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 1.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.662 ' C ' ' H ' ' A' ' 59' ' ' SER . 8.5 pt20 -33.64 79.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.764 . . . . 1.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.793 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . 44.55 8.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.5 1.125 . . . . 1.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.949 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.7 m -45.87 162.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.736 . . . . 1.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.902 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 3.9 p30 -125.49 147.08 49.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 1.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.811 ' O ' ' O ' ' A' ' 6' ' ' PHE . 30.0 m -147.01 174.53 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 1.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.904 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -130.05 135.95 48.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.0 110.392 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.725 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -107.26 157.52 7.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 1.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 1.08 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 m -138.77 145.53 40.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 1.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.039 HG11 ' HG2' ' A' ' 74' ' ' MET . 1.6 p -144.25 123.9 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.834 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -142.83 127.44 18.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.578 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 134.13 -151.55 20.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 1.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.551 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -77.91 -57.98 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.766 . . . . 1.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.671 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -54.42 -29.57 49.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 1.0 109.247 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 1.011 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.8 pp20? -10.05 -61.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 1.0 110.268 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.865 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -58.89 -75.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 1.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -50.8 -46.03 59.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.743 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -46.69 -77.89 0.09 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.446 1.091 . . . . 1.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.16 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.01 -33.55 64.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 0.808 . . . . 1.0 111.007 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -47.55 -53.53 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 1.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.773 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -62.43 -59.23 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 1.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.725 HG21 HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -45.0 -57.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.16 HG23 ' O ' ' A' ' 74' ' ' MET . 15.2 t -50.51 -60.87 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 1.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.895 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -55.04 -49.79 70.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 110.245 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.572 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -58.49 -47.1 85.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 1.0 110.449 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.798 HD13 ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -45.21 -48.0 12.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 1.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.545 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 6.0 pt20 -95.44 -12.51 25.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 1.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.895 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.53 -40.62 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 1.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.558 ' CD ' HD11 ' A' ' 21' ' ' LEU . 8.7 mm-40 -91.42 5.09 50.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 1.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.826 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 67.69 -4.73 3.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.943 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.3 mt -53.78 -50.4 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 0.754 . . . . 1.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.834 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -130.84 174.7 9.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.74 179.74 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 1.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 1.0 110.296 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.544 ' CG ' ' OE2' ' A' ' 70' ' ' GLU . 3.1 mmt . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.458 0.17 . . . . 1.0 110.982 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.573 ' O ' HG12 ' A' ' 65' ' ' VAL . 10.6 mt-10 -141.31 154.75 45.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 1.011 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.1 OUTLIER -115.57 142.87 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.805 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 39.1 tptt -124.9 109.91 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 1.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.712 ' HG3' HG23 ' A' ' 62' ' ' THR . 3.0 mp0 -84.92 143.06 29.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 1.006 ' O ' ' O ' ' A' ' 61' ' ' VAL . 23.4 m-85 -145.4 -178.48 6.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.954 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -145.49 143.2 29.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.0 109.619 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.735 HG21 ' HA2' ' A' ' 56' ' ' GLY . 3.7 mm -73.25 107.4 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 1.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.998 ' N ' ' O ' ' A' ' 86' ' ' LEU . 14.9 m -93.24 10.45 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 85' ' ' GLY . . . -126.83 117.02 21.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 1.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 12' ' ' THR . 7.8 pt-20 -60.82 -3.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 1.04 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -31.56 -76.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 110.412 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.851 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 130.06 31.68 0.57 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 1.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.913 ' CD1' HD21 ' A' ' 86' ' ' LEU . 0.9 OUTLIER 31.2 73.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 1.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 1.04 ' CD2' HG23 ' A' ' 12' ' ' THR . 2.4 p80 -97.14 174.88 6.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.585 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.719 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -39.92 -34.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.911 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -63.84 -75.59 0.13 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.911 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.04 -27.78 9.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 1.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.136 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -58.42 -52.96 63.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.876 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.71 -37.79 65.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 1.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.679 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 3.6 tt -39.94 -49.18 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 1.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -74.05 -52.21 13.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.136 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -58.71 -44.8 90.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 1.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.847 ' N ' ' O ' ' A' ' 20' ' ' THR . 7.8 pt20 -57.96 -39.23 77.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.708 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -86.46 -34.58 20.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 110.423 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.849 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -73.43 -38.89 65.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 1.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -90.89 14.61 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.0 109.989 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.876 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -104.02 5.97 35.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 1.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.981 ' HZ ' ' HB3' ' A' ' 76' ' ' ALA . 12.3 m-85 -109.31 165.21 11.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 1.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -94.28 0.81 55.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 1.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -95.88 177.88 5.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 1.0 110.003 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.8 ' N ' ' O ' ' A' ' 66' ' ' ASP . 15.3 m-20 -95.84 81.62 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.13 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -106.63 125.67 62.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.572 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 19.2 m-20 -138.08 178.0 7.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.908 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.26 141.06 48.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 1.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.852 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 30.4 tt0 -124.14 116.24 22.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 1.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.759 ' CB ' HG12 ' A' ' 61' ' ' VAL . 3.5 t80 -116.06 114.31 24.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 1.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.618 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 12.7 mtmt 70.35 5.03 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.448 ' C ' ' HG3' ' A' ' 36' ' ' GLU . . . 120.17 -7.73 11.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 1.0 111.016 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.852 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -86.34 98.04 10.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 1.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.619 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 3.8 p -102.23 111.16 23.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 110.036 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.763 HG13 ' HD2' ' A' ' 40' ' ' LYS . 4.3 m -144.3 147.08 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.0 109.363 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.986 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.1 m120 -42.41 81.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.731 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -12.87 -43.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 1.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.957 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.4 tttt -67.65 3.83 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 1.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.986 ' N ' ' O ' ' A' ' 43' ' ' ASN . 16.3 t -89.1 81.62 6.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 1.0 109.959 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.775 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -39.86 -56.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.551 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 10.3 ttp -41.39 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.518 ' HA3' HG21 ' A' ' 42' ' ' VAL . . . -54.75 -43.45 80.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 1.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.688 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.8 OUTLIER -61.7 -59.8 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 1.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.775 ' N ' ' O ' ' A' ' 47' ' ' ILE . 13.9 mmm -39.56 -42.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.0 p -76.02 -26.02 56.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 1.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.686 HD13 ' HB2' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -90.83 -56.09 3.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 1.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.688 ' N ' ' O ' ' A' ' 50' ' ' VAL . . . 15.8 108.53 0.0 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.587 1.179 . . . . 1.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.98 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -100.95 -175.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 1.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.851 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 164.96 -91.29 0.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.119 . . . . 1.0 111.047 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.669 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.6 mt-30 -35.56 83.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 1.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.704 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . 40.06 15.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 1.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.98 ' HB3' HG12 ' A' ' 55' ' ' VAL . 4.0 m -51.73 172.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 1.0 110.04 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.764 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.7 p30 -136.18 145.26 45.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 1.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.006 ' O ' ' O ' ' A' ' 6' ' ' PHE . 26.9 m -147.15 177.45 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 1.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.85 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -132.67 133.36 43.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.0 110.391 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.707 HG22 ' HB3' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -102.69 153.61 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.238 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 1.13 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 m -139.63 148.83 43.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 1.0 110.44 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.066 HG11 ' HG2' ' A' ' 74' ' ' MET . 5.1 p -142.34 112.91 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.8 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -129.84 121.83 27.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 1.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.608 ' O ' ' CD ' ' A' ' 70' ' ' GLU . . . 143.55 -129.69 3.8 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.547 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . -98.83 -69.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.734 . . . . 1.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.675 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -37.94 -29.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 1.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.77 ' HA ' HG22 ' A' ' 65' ' ' VAL . 40.0 mt-10 8.36 -84.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -54.48 -70.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -44.39 -50.61 9.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 1.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.772 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -49.4 -79.31 0.07 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.559 1.162 . . . . 1.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.205 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -51.64 -33.84 35.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 1.0 110.957 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -46.6 -61.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 1.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.981 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -53.6 -55.21 27.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 1.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.631 HG21 HG12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.43 -55.44 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 1.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.205 HG23 ' O ' ' A' ' 74' ' ' MET . 4.6 t -51.26 -62.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.943 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -52.99 -37.09 61.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 110.344 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.656 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -70.02 -55.35 9.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 1.0 110.371 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.015 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -39.06 -42.71 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 1.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.509 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 2.6 pt20 -95.43 -17.55 21.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 110.341 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.943 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -73.91 -32.24 63.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.666 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -97.74 8.06 45.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 1.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.7 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 60.1 6.84 5.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.46 1.1 . . . . 1.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.998 ' O ' ' N ' ' A' ' 9' ' ' VAL . 1.8 tp -71.02 -59.24 2.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.015 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -116.06 164.85 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.653 ' HG2' HG11 ' A' ' 9' ' ' VAL . 61.4 mt-10 -62.63 -168.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 1.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.411 ' HA ' ' CG ' ' A' ' 82' ' ' GLN . 11.1 pt20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 1.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.452 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 11.4 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.537 0.208 . . . . 1.0 111.03 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.567 ' O ' HG12 ' A' ' 65' ' ' VAL . 7.6 mt-10 -135.67 129.88 33.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 1.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.965 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -104.88 134.88 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 1.0 109.337 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.824 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 43.9 tptt -121.08 111.75 17.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.696 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 8.5 mp0 -82.48 157.11 23.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 1.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.89 ' O ' ' O ' ' A' ' 61' ' ' VAL . 86.3 m-85 -157.53 -177.5 6.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.835 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -145.73 134.12 21.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 1.0 109.606 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.015 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -62.06 129.77 25.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 1.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.783 HG11 ' HB3' ' A' ' 88' ' ' GLU . 16.5 m -127.41 20.36 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 1.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.634 ' CB ' HD23 ' A' ' 86' ' ' LEU . . . -101.99 -17.16 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.526 ' HA ' ' H ' ' A' ' 58' ' ' GLY . 11.2 pt-20 45.39 18.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 1.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.784 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -80.19 -60.59 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 1.0 110.346 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.778 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 134.88 54.15 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 1.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.823 HG23 ' HA ' ' A' ' 19' ' ' ALA . 1.1 mp 2.39 76.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 1.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.893 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.0 p80 -97.82 176.84 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 1.0 109.619 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.77 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.2 -36.36 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 1.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.871 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -63.86 -73.22 0.22 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 1.0 110.325 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.939 ' HB2' HD11 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.95 -30.63 7.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.477 1.778 . . . . 1.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 1.134 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -56.38 -53.7 54.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 1.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.822 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -72.04 -35.32 69.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 110.367 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.634 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -40.8 -51.72 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.726 HD23 ' O ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -72.46 -52.68 14.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.134 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -55.99 -45.85 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 1.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.805 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.0 pt20 -57.82 -38.72 76.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 1.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.816 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.01 -25.68 29.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 110.433 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.766 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -86.88 -33.94 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.718 ' N ' ' O ' ' A' ' 23' ' ' VAL . 36.2 t -93.66 39.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.791 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -143.7 23.36 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 1.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.816 ' CZ ' ' O ' ' A' ' 25' ' ' THR . 21.9 m-85 -116.42 128.28 55.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -50.84 -16.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 1.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.597 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . 32.5 p -104.22 -177.74 3.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 1.0 110.039 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.77 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -86.76 155.51 20.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 1.069 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -179.47 117.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 1.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.568 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 23.9 m-20 -130.74 179.71 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 1.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.873 HD12 ' N ' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -119.29 148.19 43.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.924 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -128.42 115.38 18.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 1.0 110.278 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 1.297 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.8 t80 -118.89 124.17 46.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 1.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.655 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 9.8 mtmt 72.86 0.63 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.43 -1.87 22.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.547 1.154 . . . . 1.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.945 ' HB3' HD11 ' A' ' 53' ' ' LEU . 10.8 tttt -96.83 108.11 20.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 0.735 . . . . 1.0 109.354 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.594 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 4.2 p -101.38 116.19 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.603 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -146.15 147.42 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 1.0 109.291 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 1.019 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.7 OUTLIER -41.68 89.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 1.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -23.39 -38.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.761 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -74.78 9.89 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 1.019 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.7 t -93.43 78.32 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 1.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.803 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -41.21 -59.47 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.594 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -39.92 -68.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 110.962 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.86 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -57.4 -55.25 31.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 1.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.544 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -56.27 -50.17 72.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 0.731 . . . . 1.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.803 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.8 tpp -40.81 -54.11 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.475 ' OG ' ' NZ ' ' A' ' 40' ' ' LYS . 1.1 p -64.57 -24.89 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 109.957 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.297 HD22 ' CD2' ' A' ' 37' ' ' TYR . 2.1 mt -94.25 -93.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 1.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.613 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 63.62 137.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.148 . . . . 1.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.026 HG12 ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -124.54 -171.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 1.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.778 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 157.13 -86.21 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 1.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.691 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.9 pt20 -40.98 80.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 1.0 110.273 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.73 ' N ' ' O ' ' A' ' 56' ' ' GLY . . . 41.8 11.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.438 1.086 . . . . 1.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . 1.026 ' CB ' HG12 ' A' ' 55' ' ' VAL . 27.3 m -48.45 165.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 1.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.823 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.7 p30 -125.69 143.93 50.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.89 ' O ' ' O ' ' A' ' 6' ' ' PHE . 35.5 m -146.89 174.61 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 1.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.924 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.81 141.44 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.417 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.739 HG21 HG21 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -112.79 148.67 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 1.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 1.069 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.5 m -133.18 139.46 47.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 110.453 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.054 HG22 ' HA ' ' A' ' 70' ' ' GLU . 3.7 p -132.66 124.9 51.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.77 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -138.29 123.06 18.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.597 ' HA3' ' CB ' ' A' ' 31' ' ' SER . . . 137.72 -163.62 25.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 1.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -69.43 -53.69 18.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 0.743 . . . . 1.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.648 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -60.62 -21.33 62.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.0 109.251 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 1.054 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.1 pp20? -14.7 -58.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 1.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -61.06 -76.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -46.02 -50.18 15.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 110.331 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.698 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -43.84 -76.32 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 1.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . 1.103 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.9 ppp? -50.17 -43.14 52.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 1.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.575 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -41.43 -61.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.805 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -52.13 -61.11 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.739 HG21 HG21 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -44.51 -56.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 1.0 109.273 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.103 HG23 ' O ' ' A' ' 74' ' ' MET . 5.4 t -51.55 -61.68 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.923 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -52.95 -46.93 68.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 1.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.623 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -60.83 -44.85 96.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 1.0 110.402 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.948 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.95 -46.46 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -93.98 -14.37 25.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 1.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.923 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.59 -42.45 20.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 1.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.561 ' CD ' HD11 ' A' ' 21' ' ' LEU . 9.5 mm-40 -90.78 12.08 20.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 110.342 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.479 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 54.93 14.59 5.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 1.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.015 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -73.15 -44.2 60.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 1.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.948 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -134.07 163.76 28.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.783 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -95.78 -176.79 3.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 1.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.409 ' HA ' ' OE1' ' A' ' 82' ' ' GLN . 13.9 mp0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.482 ' O ' ' O ' ' A' ' 65' ' ' VAL . 7.8 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.295 -0.261 . . . . 1.0 110.295 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 1.043 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.03 152.91 23.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.258 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.829 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 44.6 tptt -136.17 112.14 9.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.773 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -81.57 161.66 23.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 1.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.855 ' O ' ' O ' ' A' ' 61' ' ' VAL . 92.7 m-85 -163.79 -177.31 5.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 1.0 111.013 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.957 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -144.54 139.06 27.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 1.0 109.564 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.075 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.1 mm -67.21 123.7 20.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 1.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.749 HG13 ' HD2' ' A' ' 7' ' ' HIS . 15.4 m -117.02 4.92 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 1.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.595 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -86.03 -19.5 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 1.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 15.0 pt-20 45.46 17.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.0 110.249 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.791 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -77.28 -60.98 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 1.0 110.404 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.75 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 141.79 22.96 0.23 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 1.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.868 HG12 HG23 ' A' ' 55' ' ' VAL . 0.7 OUTLIER 33.47 73.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 1.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.822 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.3 p80 -98.09 177.34 5.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 1.0 109.595 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.683 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.98 -35.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.882 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -64.96 -73.69 0.21 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.291 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.882 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -74.97 -30.53 7.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 1.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.137 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -57.24 -53.94 52.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 1.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.849 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -71.67 -36.17 70.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 1.0 110.473 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.675 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -40.02 -52.37 2.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 1.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.907 HD23 HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -72.17 -53.34 12.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 1.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.137 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.46 -45.11 81.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 1.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.847 ' N ' ' O ' ' A' ' 20' ' ' THR . 3.9 pt20 -57.97 -37.98 75.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 1.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.765 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -85.57 -27.61 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 1.0 110.365 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.818 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -85.03 -37.52 20.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 1.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.737 ' N ' ' O ' ' A' ' 23' ' ' VAL . 32.6 t -90.49 45.48 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 1.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.777 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.55 20.61 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.824 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.9 m-85 -117.21 142.59 46.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -70.86 1.26 5.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 4.6 m -105.55 176.53 5.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 1.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.832 ' N ' ' O ' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -93.26 97.15 10.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 1.0 109.25 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.058 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.71 127.04 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 1.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.662 ' O ' HG13 ' A' ' 63' ' ' ILE . 52.7 m-20 -140.61 177.21 8.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.885 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -119.14 143.05 47.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 1.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.921 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -127.81 116.33 20.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 1.276 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.7 t80 -118.75 124.53 47.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.648 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 24.6 mtmt 74.34 -5.48 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 1.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 37' ' ' TYR . . . 122.82 -2.82 10.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 1.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.905 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 12.9 tttt -95.49 111.24 23.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 1.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.624 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 1.5 t -104.94 117.99 35.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 109.952 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.653 HG23 ' HB3' ' A' ' 46' ' ' SER . 1.2 m -147.43 148.09 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 1.02 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.3 m-80 -42.78 87.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.673 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -19.97 -40.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.8 ' N ' ' O ' ' A' ' 43' ' ' ASN . 2.2 tptt -70.08 5.96 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 1.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 1.02 ' N ' ' O ' ' A' ' 43' ' ' ASN . 33.5 t -88.54 73.1 8.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 1.0 110.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -40.03 -59.84 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.592 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -40.07 -66.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.789 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -59.89 -53.01 49.4 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 1.0 110.977 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.9 OUTLIER -56.59 -51.31 67.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.761 . . . . 1.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.776 ' N ' ' O ' ' A' ' 47' ' ' ILE . 7.9 mmm -40.83 -57.66 1.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 1.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.406 ' OG ' ' NZ ' ' A' ' 40' ' ' LYS . 6.6 p -59.94 -27.9 67.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 1.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.276 HD22 ' CD2' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -92.16 -88.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.62 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 58.93 145.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.142 . . . . 1.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.016 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -128.18 -171.72 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.783 . . . . 1.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.75 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 161.96 -96.4 0.14 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 1.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.658 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.8 pt20 -39.07 87.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 1.0 110.345 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.84 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 39.96 15.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.1 . . . . 1.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.016 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.0 m -55.81 133.96 51.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 0.798 . . . . 1.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.883 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 5.2 p-10 -97.21 147.21 24.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 1.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.866 HG13 HG11 ' A' ' 55' ' ' VAL . 31.2 m -147.18 179.19 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 1.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.921 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -135.6 136.91 41.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 1.0 110.399 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.664 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -109.3 155.98 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 1.058 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -135.26 145.24 47.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 1.0 110.404 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.005 HG22 ' HA ' ' A' ' 70' ' ' GLU . 0.8 OUTLIER -143.51 122.81 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.832 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.8 129.85 23.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.573 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 128.31 -153.1 19.37 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 1.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.571 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -74.22 -61.19 1.94 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 0.75 . . . . 1.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.677 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -52.02 -31.12 28.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 1.005 ' HA ' HG22 ' A' ' 65' ' ' VAL . 3.0 pp20? -9.62 -59.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.806 ' HB2' ' OE2' ' A' ' 70' ' ' GLU . . . -64.21 -68.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 1.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -54.87 -47.09 74.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 1.0 110.292 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.675 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -47.42 -73.08 0.34 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.119 . . . . 1.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.121 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.44 -37.59 70.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 1.0 111.018 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.504 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -44.76 -55.43 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 1.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.743 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -59.82 -59.26 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.664 HG21 HG21 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -45.13 -58.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.121 HG23 ' O ' ' A' ' 74' ' ' MET . 6.8 t -49.96 -60.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.903 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -54.3 -48.85 70.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.646 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -59.68 -46.62 88.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 110.424 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.99 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -45.36 -48.3 13.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.749 HE22 HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -94.06 -13.17 27.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 1.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.903 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.82 -38.34 25.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 1.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.533 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 6.8 mm-40 -96.71 13.61 27.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 1.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.517 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 54.29 18.43 9.76 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 1.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.075 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.3 mt -79.04 -39.24 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.99 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -142.5 161.45 38.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.595 ' HB3' HG11 ' A' ' 9' ' ' VAL . 1.1 pt-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.953 ' O ' HG12 ' A' ' 65' ' ' VAL . 9.3 mt-10 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.294 -0.262 . . . . 1.0 110.294 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 1.016 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -91.55 150.36 21.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.831 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.9 tptt -141.77 111.55 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.756 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.2 mp0 -81.23 150.34 28.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 1.0 110.307 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.879 ' HZ ' HG22 ' A' ' 78' ' ' VAL . 27.9 m-85 -150.77 -173.74 4.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.992 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -149.94 136.79 19.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.599 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.088 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.5 mm -66.63 126.21 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.785 HG13 ' HD2' ' A' ' 7' ' ' HIS . 16.2 m -121.97 5.27 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.609 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -83.87 -19.6 34.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 1.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.9 pt-20 46.91 16.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 1.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.803 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -77.26 -60.66 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.418 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.741 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 139.42 24.17 0.31 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 1.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.865 HG23 ' HA ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER 33.49 75.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 1.0 109.332 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.819 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.3 p80 -99.27 177.03 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.614 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.725 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -39.95 -35.68 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 1.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.88 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.16 -73.55 0.21 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 1.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.97 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.96 -30.67 6.98 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.769 . . . . 1.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.152 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -56.33 -53.96 51.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 1.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.899 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -72.89 -35.1 67.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 1.0 110.399 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.646 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.9 tt -39.81 -51.95 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 1.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.822 HD23 HD13 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -74.05 -53.06 10.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.152 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.45 -43.74 78.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 1.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.853 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.1 pt20 -59.9 -39.24 84.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 1.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.761 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -83.9 -29.79 26.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 1.0 110.406 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.779 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -83.56 -36.65 23.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.717 ' N ' ' O ' ' A' ' 23' ' ' VAL . 51.6 p -90.47 44.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 1.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.795 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -149.12 22.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 1.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.823 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.6 m-85 -119.18 141.46 48.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 1.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -69.65 0.13 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 3.5 m -104.62 174.84 5.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 1.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.816 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -92.77 95.89 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 1.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.097 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -118.86 123.82 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.662 ' O ' HG13 ' A' ' 63' ' ' ILE . 3.9 m120 -137.19 178.75 6.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.07 HD11 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -121.7 141.52 51.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.925 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -123.67 110.34 14.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 1.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.725 ' CE1' ' CG ' ' A' ' 38' ' ' LYS . 4.6 t80 -112.39 113.71 26.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 1.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.725 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 8.8 mtmt 66.67 19.26 10.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 1.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.51 -4.85 40.37 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.123 . . . . 1.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.782 ' CE ' ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -86.8 89.37 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 0.726 . . . . 1.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.571 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 4.3 t -97.18 105.82 18.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.883 HG21 ' HA3' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -146.08 150.96 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 1.038 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.7 m-20 -42.02 89.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 1.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.737 ' O ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -21.18 -39.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 1.0 109.246 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.798 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -85.51 22.12 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 1.038 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.9 t -94.19 105.5 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.863 HG22 ' N ' ' A' ' 48' ' ' MET . 0.6 OUTLIER -40.31 -88.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.863 ' N ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -39.84 -60.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 111.014 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.883 ' HA3' HG21 ' A' ' 42' ' ' VAL . . . -48.71 -22.71 2.91 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 1.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.737 HG21 ' O ' ' A' ' 44' ' ' LEU . 2.1 t -99.41 -41.25 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 1.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -40.2 -43.83 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 110.984 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -20.82 25.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 1.0 109.986 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.07 HD11 HD11 ' A' ' 35' ' ' LEU . 5.7 tt -75.18 -108.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 1.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.515 ' N ' ' CD2' ' A' ' 53' ' ' LEU . . . 61.66 117.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.498 1.124 . . . . 1.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.005 HG12 ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -121.07 -172.78 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 0.74 . . . . 1.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.741 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 161.1 -93.02 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 1.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.66 ' O ' ' N ' ' A' ' 59' ' ' SER . 7.6 mt-30 -37.17 84.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 1.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.856 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 39.84 15.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 1.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.005 ' CB ' HG12 ' A' ' 55' ' ' VAL . 7.8 m -54.91 133.01 47.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 0.744 . . . . 1.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.866 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 4.6 p-10 -97.98 145.58 26.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.864 ' O ' ' O ' ' A' ' 6' ' ' PHE . 27.2 m -145.78 173.04 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 1.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.925 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.45 129.99 45.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 1.0 110.394 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -102.28 158.14 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 1.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 1.097 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.6 m -140.28 145.56 37.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 1.0 110.432 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.112 HG11 ' HG2' ' A' ' 74' ' ' MET . 2.6 p -142.73 123.22 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.816 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -137.78 132.48 32.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.711 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 129.57 -148.73 18.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 1.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.573 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -83.48 -49.66 9.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 1.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.685 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -57.32 -32.11 66.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 1.0 109.244 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.953 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -5.08 -69.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 110.333 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.692 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -56.87 -72.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 1.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -50.49 -47.92 57.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 1.0 110.342 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.709 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -47.75 -78.81 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 1.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.148 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -55.23 -34.2 63.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 1.0 110.993 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -46.29 -54.36 9.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 1.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.759 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -60.92 -56.77 17.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.72 ' O ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -47.54 -61.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.148 HG23 ' O ' ' A' ' 74' ' ' MET . 5.7 t -45.35 -60.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 1.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.892 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -54.14 -49.69 68.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.57 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -59.01 -47.66 84.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 1.0 110.382 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.012 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -44.25 -46.8 9.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 1.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.704 ' NE2' HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -96.14 -14.33 22.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 110.293 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.892 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.55 -38.83 25.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.527 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 6.3 mm-40 -96.42 14.75 23.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 1.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.479 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 51.53 18.75 3.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 1.0 110.99 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.088 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.4 mt -81.07 -26.45 36.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 0.759 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.012 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -150.42 171.75 16.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.516 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 1.0 110.341 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.927 ' O ' HG12 ' A' ' 65' ' ' VAL . 6.1 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.338 -0.245 . . . . 1.0 110.338 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 1.013 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -91.77 151.73 20.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 1.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.824 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 45.7 tptt -143.37 112.66 6.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.754 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.3 mp0 -81.45 161.62 23.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 1.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.824 ' CZ ' ' CG ' ' A' ' 4' ' ' LYS . 91.5 m-85 -163.05 -176.92 5.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 1.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.973 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -144.95 133.35 21.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 1.0 109.634 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.05 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.6 mm -61.46 133.16 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 1.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.779 HG13 ' HD2' ' A' ' 7' ' ' HIS . 15.3 m -130.19 13.71 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 1.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.546 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -92.02 -17.68 24.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 1.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.1 pt-20 46.09 18.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 1.0 110.272 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.853 HG21 ' HG3' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -81.67 -61.02 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 1.0 110.353 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.756 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 137.69 23.36 0.44 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 1.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.761 HG23 ' HA ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER 37.96 72.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 1.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.85 ' CD2' HG23 ' A' ' 12' ' ' THR . 2.1 p80 -97.76 177.79 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.647 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.857 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.86 -33.77 0.33 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 1.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.871 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -66.52 -73.34 0.22 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 1.0 110.278 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.97 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.99 -28.68 8.97 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.802 . . . . 1.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.043 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -59.23 -50.5 73.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 1.145 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.24 -38.41 66.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 1.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.614 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.4 tt -40.22 -55.93 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 1.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.742 HD23 HD13 ' A' ' 86' ' ' LEU . 1.8 pp -69.47 -64.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.145 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 2.7 p -46.53 -51.25 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 1.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.782 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -52.45 -38.64 59.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.749 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -83.97 -29.09 27.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 1.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.814 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.46 -35.09 23.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.788 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -91.54 44.63 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 109.983 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.776 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -149.98 23.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.776 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 22.3 m-85 -119.61 138.41 53.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 1.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -68.46 -4.78 16.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 1.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 69' ' ' ASP . 4.7 m -97.83 178.14 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.949 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.839 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -94.07 94.76 8.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 1.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.052 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -118.18 127.16 75.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 1.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.607 ' O ' HG13 ' A' ' 63' ' ' ILE . 14.7 m-20 -140.11 176.3 8.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.886 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -119.5 141.26 49.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 1.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.938 ' O ' ' N ' ' A' ' 62' ' ' THR . 43.4 tt0 -127.44 116.28 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 1.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 1.238 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.7 t80 -123.39 123.31 40.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 1.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.701 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 17.4 mtmt 71.69 -0.77 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 1.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.68 -13.78 9.27 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 1.0 111.036 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.828 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -82.05 105.4 13.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 1.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.563 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 13.4 p -108.52 112.23 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 1.0 109.974 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.719 HG23 ' HB3' ' A' ' 46' ' ' SER . 2.3 m -145.99 147.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 1.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 1.01 ' O ' ' N ' ' A' ' 45' ' ' LYS . 1.5 m120 -44.38 84.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 1.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.688 ' C ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -11.64 -41.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 1.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 1.01 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -63.87 -2.22 1.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 1.0 109.317 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.939 ' N ' ' O ' ' A' ' 43' ' ' ASN . 12.9 t -87.97 71.59 9.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 1.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.938 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.1 tp -40.14 -52.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 1.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.475 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -40.58 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 1.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.487 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -55.66 -44.37 86.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 1.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.578 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -65.7 -49.47 77.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 1.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.938 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.5 tpp -40.05 -60.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 1.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.7 p -62.15 -14.72 40.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 109.96 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.238 HD22 ' CD2' ' A' ' 37' ' ' TYR . 1.1 mt -95.07 -93.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 58.54 130.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 1.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.023 HG12 ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -117.65 -175.03 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 1.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.767 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . 164.43 -92.75 0.11 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.461 1.101 . . . . 1.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.691 ' C ' ' H ' ' A' ' 59' ' ' SER . 3.9 pt20 -35.92 80.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 1.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.973 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 43.58 7.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.538 1.149 . . . . 1.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.023 ' CB ' HG12 ' A' ' 55' ' ' VAL . 8.6 m -42.57 165.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 0.779 . . . . 1.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.86 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 3.6 p-10 -126.72 145.31 50.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 55' ' ' VAL . 33.3 m -146.7 177.6 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.938 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -134.53 129.6 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 1.0 110.406 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.74 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -101.43 156.02 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 1.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 1.052 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.8 m -137.1 145.11 43.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 1.0 110.438 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.031 HG11 ' HG2' ' A' ' 74' ' ' MET . 1.6 p -143.78 123.8 8.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 1.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.839 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.42 129.99 24.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.589 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 130.38 -152.56 19.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 1.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -77.75 -55.17 5.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 1.0 109.275 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.659 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -56.08 -28.94 59.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 1.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.956 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.8 pp20? -12.3 -60.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 1.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.87 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -60.55 -69.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 1.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -54.46 -47.48 72.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 1.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.715 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -47.48 -76.24 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 1.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.139 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.82 -33.58 66.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.766 . . . . 1.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -47.48 -51.26 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.749 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -65.76 -58.47 5.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.74 HG21 HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -46.05 -56.88 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 1.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.139 HG23 ' O ' ' A' ' 74' ' ' MET . 12.5 t -51.33 -60.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 1.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.903 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -55.52 -49.96 71.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 1.0 110.256 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.632 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -57.85 -46.51 84.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 1.0 110.423 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.989 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.04 -46.29 33.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 1.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.588 HE22 HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -95.03 -12.51 26.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 1.0 110.297 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.903 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -83.64 -39.9 19.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 1.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.541 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 6.6 mm-40 -96.33 16.66 17.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 1.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.653 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 50.4 18.77 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 1.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.05 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 2.1 mt -80.07 -23.65 41.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 1.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.989 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -155.39 158.78 39.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.548 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' HG12 ' A' ' 65' ' ' VAL . 4.7 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.296 -0.261 . . . . 1.0 110.296 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.997 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -117.14 160.3 21.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 1.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.858 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 48.4 tptt -145.08 114.73 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.713 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.4 mp0 -87.76 148.16 24.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 1.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.858 ' CZ ' ' CG ' ' A' ' 4' ' ' LYS . 55.4 m-85 -147.2 -178.72 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 1.05 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -145.38 132.65 20.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.0 109.618 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.961 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.7 mm -60.82 127.65 20.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 1.0 109.366 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.838 HG13 ' HD2' ' A' ' 7' ' ' HIS . 9.2 m -125.38 8.63 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 1.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 85' ' ' GLY . . . -93.13 -12.79 29.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.492 ' HA ' ' H ' ' A' ' 58' ' ' GLY . 7.8 pt-20 46.69 16.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 1.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.928 HG21 ' HG3' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -69.48 -78.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.434 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.799 ' N ' HG22 ' A' ' 12' ' ' THR . . . 154.39 14.44 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 1.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.796 ' CD1' HD21 ' A' ' 86' ' ' LEU . 0.4 OUTLIER 39.06 68.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 1.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.867 ' O ' ' N ' ' A' ' 19' ' ' ALA . 3.2 p80 -99.09 -179.71 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 1.0 109.62 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.876 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -39.75 -35.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.849 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -67.62 -71.89 0.29 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 1.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.928 ' HG3' HG21 ' A' ' 12' ' ' THR . 18.4 Cg_endo -75.01 -27.61 9.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 1.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.055 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -61.43 -47.3 86.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 1.134 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -73.5 -39.82 64.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 110.388 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.616 HD11 ' CD ' ' A' ' 84' ' ' GLU . 2.0 tt -39.82 -57.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.67 ' CD2' HD22 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -69.01 -64.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.134 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 4.8 p -46.76 -52.03 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 1.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.798 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -50.73 -38.71 49.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.369 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.797 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -83.84 -28.56 27.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.382 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.803 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.95 -33.43 22.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.78 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.8 t -91.39 42.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.022 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.802 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.72 23.85 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 1.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.816 ' HD2' HG21 ' A' ' 33' ' ' ILE . 21.7 m-85 -120.34 135.66 54.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.415 1.072 . . . . 1.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -64.65 -7.08 9.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 1.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -93.65 175.99 6.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 110.011 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.873 ' N ' ' O ' ' A' ' 66' ' ' ASP . 8.3 m-20 -94.83 83.58 4.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 1.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.067 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -104.94 128.35 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 1.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.607 ' O ' HG13 ' A' ' 63' ' ' ILE . 13.6 m-20 -138.89 174.89 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 1.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.922 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -119.39 141.79 48.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 1.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.996 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -127.12 115.93 19.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 1.0 110.337 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 1.22 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.5 t80 -118.02 127.13 53.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 1.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.866 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER 71.89 2.02 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 1.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.73 -1.59 23.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.434 1.084 . . . . 1.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.996 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 7.3 tttt -95.62 111.29 23.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 1.0 109.361 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.674 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 3.6 p -104.86 115.94 31.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 1.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.64 HG23 ' HB3' ' A' ' 46' ' ' SER . 0.9 OUTLIER -145.13 143.24 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.963 ' O ' ' N ' ' A' ' 46' ' ' SER . 3.1 m-80 -42.61 88.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 1.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.639 ' HG ' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -19.18 -38.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 1.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.872 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -64.7 -2.14 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.963 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.6 t -87.87 69.91 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 1.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.857 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -41.38 -57.2 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 1.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.559 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -39.94 -69.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 1.0 110.993 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.811 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -56.7 -51.33 57.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 1.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -60.93 -47.53 93.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 0.777 . . . . 1.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.857 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -41.56 -54.51 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 1.0 110.995 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 p -61.88 -22.61 65.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.22 HD22 ' CD2' ' A' ' 37' ' ' TYR . 3.6 mt -92.76 -92.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 61.18 127.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 1.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.98 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -112.86 -172.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 1.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.734 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 159.82 -90.85 0.11 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.421 1.076 . . . . 1.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.727 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.4 pt20 -42.16 89.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 1.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.833 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 39.01 13.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 1.0 111.031 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.98 ' HB3' HG12 ' A' ' 55' ' ' VAL . 2.1 m -51.55 167.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 1.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.866 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.0 p30 -130.92 146.45 52.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.845 HG13 HG11 ' A' ' 55' ' ' VAL . 33.8 m -148.55 176.83 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.9 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -134.5 133.04 39.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 1.0 110.392 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.855 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -105.82 153.87 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 1.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 1.067 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.6 m -137.56 152.56 49.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 1.0 110.414 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.036 HG11 ' HG2' ' A' ' 74' ' ' MET . 4.4 p -146.24 114.06 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.873 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -132.09 124.49 29.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.427 1.079 . . . . 1.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.701 ' O ' ' CD ' ' A' ' 70' ' ' GLU . . . 141.55 -130.14 4.28 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.517 1.135 . . . . 1.0 111.01 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.466 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . -98.85 -66.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 1.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.676 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -40.77 -30.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.788 ' HA ' HG22 ' A' ' 65' ' ' VAL . 20.6 mt-10 6.89 -80.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 1.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.672 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -55.93 -68.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -46.44 -51.78 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 1.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.755 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -49.18 -78.19 0.1 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 1.0 111.034 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.17 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -55.44 -33.13 63.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 1.0 111.038 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -46.84 -57.77 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.808 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -58.07 -57.84 11.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.855 HG21 HG21 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.73 -59.04 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 1.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.17 HG23 ' O ' ' A' ' 74' ' ' MET . 12.5 t -49.07 -60.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 1.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.999 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -53.68 -43.47 68.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 1.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.535 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -64.92 -50.72 65.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 1.0 110.414 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.902 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -42.05 -45.3 3.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 1.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.578 ' NE2' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -95.89 -15.84 22.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 1.0 110.291 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.999 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -79.31 -36.88 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.616 ' CD ' HD11 ' A' ' 21' ' ' LEU . 8.1 mm-40 -97.8 15.6 23.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.54 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 48.95 22.56 3.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.441 1.088 . . . . 1.0 111.002 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.961 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -91.88 -2.56 56.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 1.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.05 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -169.14 160.68 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.821 ' HG2' HG11 ' A' ' 9' ' ' VAL . 4.7 mt-10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 1.008 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.312 -0.255 . . . . 1.0 110.312 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.99 ' CB ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -86.93 152.83 22.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 1.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.812 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 40.1 tptt -143.74 110.85 5.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 1.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.78 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.6 mp0 -83.7 143.98 29.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 1.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.943 ' O ' ' O ' ' A' ' 61' ' ' VAL . 24.4 m-85 -149.1 178.99 8.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.919 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -140.03 139.85 36.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 1.0 109.614 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.106 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.5 mm -65.82 127.27 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.8 HG13 ' HD2' ' A' ' 7' ' ' HIS . 14.0 m -123.74 8.56 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 1.0 109.269 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.522 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -97.16 -14.83 21.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 56' ' ' GLY . 9.2 pt-20 45.05 16.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 1.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.846 ' HG1' ' HE2' ' A' ' 15' ' ' HIS . 7.7 t -65.39 -57.46 8.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 1.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.79 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 134.39 9.75 1.79 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 1.0 110.955 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.737 HD12 HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER 47.47 64.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 1.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.885 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.8 p80 -98.2 179.2 4.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 1.0 109.603 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.849 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.77 -35.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 1.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.831 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -67.55 -71.44 0.32 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.885 ' HD3' ' CE1' ' A' ' 15' ' ' HIS . 18.2 Cg_endo -75.06 -28.2 9.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 1.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.057 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -61.39 -49.55 76.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 1.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 1.132 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -71.87 -39.71 69.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 110.389 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.607 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.2 tt -39.8 -58.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 1.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.894 HD23 HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -68.01 -64.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 1.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.132 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 4.6 p -46.33 -52.85 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 1.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.794 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.7 pt20 -50.25 -38.18 39.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.735 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.71 -29.95 25.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 1.0 110.39 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.779 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -82.42 -34.22 28.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.755 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.3 t -92.19 49.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 1.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.756 ' CD ' ' CE1' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -155.35 24.05 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.783 ' HZ ' ' HB3' ' A' ' 76' ' ' ALA . 22.6 m-85 -121.06 139.02 53.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -70.24 -1.46 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 1.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.483 ' HG ' ' H ' ' A' ' 70' ' ' GLU . 2.3 m -101.14 176.64 5.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 1.0 109.979 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.881 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -92.6 94.93 9.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 1.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.084 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -117.75 126.6 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 1.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.668 ' O ' HG13 ' A' ' 63' ' ' ILE . 25.4 m-20 -138.27 176.89 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 1.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.877 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -122.02 138.34 54.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.879 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -121.21 120.86 36.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 1.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.771 ' HB3' HD23 ' A' ' 53' ' ' LEU . 2.1 t80 -128.14 128.6 45.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 1.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.584 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 14.4 mtmm 73.38 -7.03 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 37' ' ' TYR . . . 121.42 4.0 10.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 1.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 1.034 ' HZ3' HD13 ' A' ' 53' ' ' LEU . 2.0 ttpt -103.76 113.85 27.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 1.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.615 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 4.9 p -108.22 114.14 27.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 46' ' ' SER . 1.0 OUTLIER -144.33 148.78 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.951 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.9 m-80 -43.93 88.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.624 ' C ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -19.15 -38.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 1.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.881 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -64.55 -2.23 2.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 1.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.951 ' N ' ' O ' ' A' ' 43' ' ' ASN . 6.3 t -87.19 73.01 9.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.846 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -39.85 -58.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 109.3 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.628 ' HE2' ' H ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -40.15 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 111.034 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.888 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -56.67 -50.16 65.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 1.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -60.83 -49.47 84.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.522 0.778 . . . . 1.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.846 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.2 mmm -40.46 -55.99 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 1.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 p -59.57 -24.18 63.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.034 HD13 ' HZ3' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -90.81 -90.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 1.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 53.85 116.56 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 1.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.028 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -102.67 -173.29 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 1.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.79 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 164.26 -96.98 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 1.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.699 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.9 mt-30 -35.97 86.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 1.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.835 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 37.7 17.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 1.0 111.058 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.028 ' HB3' HG12 ' A' ' 55' ' ' VAL . 10.3 m -52.87 172.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 0.771 . . . . 1.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.801 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.2 p30 -133.52 147.5 51.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 1.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.943 ' O ' ' O ' ' A' ' 6' ' ' PHE . 29.8 m -149.66 178.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.876 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -135.37 126.61 28.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 1.0 110.409 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.726 HG12 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -98.37 158.26 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 1.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 1.084 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 2.3 m -140.66 145.44 36.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 1.0 110.374 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.063 HG11 ' HG2' ' A' ' 74' ' ' MET . 2.1 p -144.63 125.34 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 1.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.881 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.49 138.97 35.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 1.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.653 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 123.95 -144.21 15.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 1.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.625 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -88.63 -50.73 6.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.663 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -55.48 -32.72 63.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 1.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.919 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -5.57 -70.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 1.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.626 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -53.01 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -50.08 -48.38 53.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 1.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.749 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -46.54 -79.66 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 1.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.179 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -55.68 -33.31 64.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 1.0 110.982 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -45.97 -53.87 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 1.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.783 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -63.7 -57.52 9.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.726 HG21 HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -47.08 -56.17 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.179 HG23 ' O ' ' A' ' 74' ' ' MET . 8.0 t -53.07 -60.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.937 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -54.38 -48.01 72.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 1.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.71 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -60.06 -49.38 77.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 110.41 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.036 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -44.61 -46.8 10.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.522 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.52 -14.0 25.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 1.0 110.348 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.937 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.54 -39.91 23.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 1.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.54 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 9.4 mm-40 -94.62 10.37 35.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 1.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.716 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 58.91 8.36 5.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 1.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.106 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 2.1 mt -68.69 -35.26 76.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 1.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.036 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -145.55 177.25 9.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.794 ' HG2' HG11 ' A' ' 9' ' ' VAL . 21.7 mt-10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 1.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.284 -0.265 . . . . 1.0 110.284 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 1.067 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.0 132.56 54.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.83 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 41.4 tptt -114.59 111.12 20.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.757 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 5.3 mp0 -82.8 155.58 24.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 1.0 110.352 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.86 ' CZ ' HG13 ' A' ' 78' ' ' VAL . 86.2 m-85 -158.07 -177.0 6.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 1.0 110.998 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.977 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -142.01 134.91 28.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.569 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.996 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -62.76 126.84 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 1.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.771 HG13 ' HD2' ' A' ' 7' ' ' HIS . 13.6 m -121.94 4.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 1.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 85' ' ' GLY . . . -81.56 -19.18 42.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.2 pt-20 46.01 18.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 1.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.841 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -81.46 -63.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 1.0 110.43 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.768 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 143.58 20.98 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 1.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.807 HG23 ' HA ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER 35.08 72.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 1.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.841 ' CD2' HG23 ' A' ' 12' ' ' THR . 2.5 p80 -98.11 178.02 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 1.0 109.555 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.72 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.07 -34.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.872 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -66.11 -73.02 0.23 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 1.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.904 ' HB2' HD21 ' A' ' 86' ' ' LEU . 18.1 Cg_endo -75.06 -30.15 7.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.445 1.761 . . . . 1.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.148 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -57.36 -54.57 45.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 1.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.822 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -71.59 -35.57 70.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 1.0 110.433 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.009 HD22 HD12 ' A' ' 86' ' ' LEU . 3.4 tt -39.76 -53.14 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 1.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.925 HD23 HD13 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -72.11 -53.98 11.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 1.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.148 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -54.54 -46.74 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 1.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.1 pt20 -56.67 -37.72 71.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.787 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -84.12 -26.1 29.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 1.0 110.432 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.767 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -84.9 -37.54 20.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 1.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.623 ' N ' ' O ' ' A' ' 23' ' ' VAL . 6.3 t -91.86 44.52 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.762 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -147.33 22.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.793 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.1 m-85 -116.91 130.84 56.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 1.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -52.33 -16.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 1.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.616 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . 28.7 p -103.92 -176.96 3.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 1.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.702 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -87.18 155.78 19.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 1.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.018 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER 179.86 119.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 1.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.551 ' O ' HG13 ' A' ' 63' ' ' ILE . 24.0 m-20 -134.79 178.36 7.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 1.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.875 HD12 ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -117.28 147.32 42.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 1.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.93 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -130.16 114.17 15.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 1.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 1.28 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.4 t80 -117.12 125.5 51.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.679 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 19.6 mtmt 72.39 0.48 3.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 1.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.414 ' HA2' ' CD ' ' A' ' 36' ' ' GLU . . . 115.85 -3.33 21.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 1.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.927 ' HB3' HD11 ' A' ' 53' ' ' LEU . 14.5 tttt -94.87 108.45 20.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 1.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.62 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 5.6 p -101.98 117.54 35.03 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 1.0 110.021 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.614 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -146.72 149.0 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 1.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 1.013 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.2 m-20 -44.77 87.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.667 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -21.02 -39.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 1.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.802 ' N ' ' O ' ' A' ' 43' ' ' ASN . 4.9 tttp -71.32 6.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 1.013 ' N ' ' O ' ' A' ' 43' ' ' ASN . 8.4 t -90.24 83.97 6.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 1.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.838 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -39.91 -70.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.75 ' N ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -46.09 -58.74 3.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 1.0 110.99 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.802 ' O ' ' CE ' ' A' ' 40' ' ' LYS . . . -59.76 -10.57 13.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 1.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -110.48 -43.08 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 1.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.838 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.7 tpp -46.5 -47.24 19.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 1.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.466 ' OG ' ' NZ ' ' A' ' 40' ' ' LYS . 5.3 p -69.73 -27.07 64.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 1.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.28 HD22 ' CD2' ' A' ' 37' ' ' TYR . 1.2 mt -94.05 -89.59 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.532 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 58.27 141.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 1.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.044 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -127.37 -172.42 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 1.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.768 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 159.28 -87.72 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 1.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.642 ' O ' ' CG ' ' A' ' 57' ' ' GLN . 4.9 pt20 -43.92 82.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 1.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.895 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 43.77 12.11 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 1.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.044 ' HB3' HG12 ' A' ' 55' ' ' VAL . 7.8 m -52.9 136.5 34.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 1.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.91 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 7.4 p-10 -98.99 145.58 26.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.858 ' O ' ' O ' ' A' ' 6' ' ' PHE . 28.1 m -146.38 175.53 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 1.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.93 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -130.58 137.83 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 1.0 110.394 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.657 HG12 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -109.94 150.66 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 109.326 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 1.067 HG23 ' HB2' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -132.66 144.27 50.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.412 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.004 HG11 ' HG2' ' A' ' 74' ' ' MET . 4.4 p -139.97 128.81 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 1.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.702 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -144.67 122.05 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 1.0 109.334 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.616 ' HA3' ' CB ' ' A' ' 31' ' ' SER . . . 140.96 -163.96 26.53 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.544 1.153 . . . . 1.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.1 -51.83 28.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 1.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.652 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -62.37 -22.39 66.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.162 . . . . 1.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.998 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.8 pp20? -14.28 -58.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 1.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.708 ' HB2' ' OE2' ' A' ' 70' ' ' GLU . . . -60.65 -72.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 1.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.481 ' HG3' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -52.1 -46.32 65.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 1.0 110.318 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.726 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -46.75 -77.1 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 1.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.155 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -55.05 -37.06 66.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 1.0 110.971 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -45.21 -54.24 7.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 1.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.765 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -60.33 -59.48 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.657 HG21 HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -45.54 -56.3 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 1.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.155 HG23 ' O ' ' A' ' 74' ' ' MET . 6.5 t -51.87 -60.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 1.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.932 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -54.56 -46.31 73.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.638 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -61.77 -43.5 98.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 1.0 110.362 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.016 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.2 -47.33 35.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.725 HE22 HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -94.15 -14.52 25.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 1.0 110.271 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.932 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -82.42 -42.87 18.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 1.0 109.252 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.931 ' HG3' HD21 ' A' ' 21' ' ' LEU . 3.1 mm-40 -92.75 14.24 17.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.66 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 50.95 29.74 20.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 1.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.009 HD12 HD22 ' A' ' 21' ' ' LEU . 6.0 mt -93.27 -17.86 23.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 1.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.016 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -162.56 158.75 23.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 1.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.43 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 1.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.433 ' O ' HG12 ' A' ' 65' ' ' VAL . 20.3 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.331 -0.248 . . . . 1.0 110.331 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 1.012 ' CB ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.47 159.62 25.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.813 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 49.4 tptt -144.87 115.65 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 1.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.698 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.9 mp0 -86.93 155.66 20.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.843 ' O ' ' O ' ' A' ' 61' ' ' VAL . 45.9 m-85 -154.52 -177.24 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 1.104 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -148.56 135.13 19.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 1.0 109.638 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.119 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.6 mm -62.84 124.35 17.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 1.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.804 HG13 ' HD2' ' A' ' 7' ' ' HIS . 16.2 m -122.57 1.68 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.508 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -84.92 -11.93 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.8 pt-20 45.71 16.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 110.346 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.905 HG21 ' HG3' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -68.96 -77.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 1.0 110.425 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.753 ' N ' HG22 ' A' ' 12' ' ' THR . . . 158.16 2.8 0.08 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.508 1.13 . . . . 1.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.746 HG12 HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER 50.95 67.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.548 0.793 . . . . 1.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.848 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.2 p80 -99.33 -179.56 4.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 1.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.811 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.44 -36.11 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 1.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.861 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.92 -72.49 0.27 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 110.318 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.905 ' HG3' HG21 ' A' ' 12' ' ' THR . 18.3 Cg_endo -75.02 -29.84 7.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 1.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.147 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -58.35 -52.67 64.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 1.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.895 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -71.79 -35.93 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 1.0 110.382 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.647 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.9 tt -39.92 -52.01 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -72.99 -51.82 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.147 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.98 -45.42 83.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 1.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.826 ' N ' ' O ' ' A' ' 20' ' ' THR . 4.5 pt20 -56.9 -39.43 74.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 1.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.811 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -85.45 -29.75 24.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 110.44 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.801 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -85.81 -30.7 22.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.815 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -93.32 39.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 109.984 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.796 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -145.56 24.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 1.0 109.31 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.821 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.1 m-85 -122.02 134.61 54.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -63.67 -4.52 3.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 1.0 109.268 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 1.1 m -94.41 176.69 6.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.699 ' N ' ' O ' ' A' ' 66' ' ' ASP . 98.1 m-20 -97.35 78.52 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.115 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -99.64 128.37 51.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 109.252 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.532 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 26.6 m-20 -140.04 175.48 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 1.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.864 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.63 140.5 49.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.951 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -124.85 113.1 17.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 1.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 1.248 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.2 t80 -115.45 122.54 46.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 1.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.719 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 1.6 mtmm 72.76 0.67 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.45 -0.54 18.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 1.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.951 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -95.72 106.11 18.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 1.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.653 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 1.7 p -102.09 113.37 26.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 1.0 109.95 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.844 HG13 ' HD3' ' A' ' 40' ' ' LYS . 4.7 m -144.56 144.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 1.001 ' O ' ' N ' ' A' ' 46' ' ' SER . 5.0 m-20 -40.62 86.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.673 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -16.49 -41.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.882 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -66.98 2.42 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 1.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 1.001 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.9 t -88.25 68.93 9.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.842 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -40.06 -52.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 1.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.481 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 14.5 ttp -40.67 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 1.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.581 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -55.82 -48.15 74.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.137 . . . . 1.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.1 t -60.24 -51.21 75.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 1.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.842 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -41.84 -53.24 3.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 1.0 111.019 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.1 p -59.84 -24.11 63.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 1.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.248 HD22 ' CD2' ' A' ' 37' ' ' TYR . 2.0 mt -95.08 -89.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 1.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.82 121.71 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.467 1.105 . . . . 1.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.014 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -107.84 -174.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 1.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.75 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 157.98 -87.84 0.12 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 1.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.634 ' O ' ' N ' ' A' ' 59' ' ' SER . 12.7 mt-30 -43.36 84.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.886 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 43.08 11.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.567 1.167 . . . . 1.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.014 ' HB3' HG12 ' A' ' 55' ' ' VAL . 2.2 m -47.87 165.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 1.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.853 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 7.8 p-10 -130.38 146.37 51.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 1.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.843 ' O ' ' O ' ' A' ' 6' ' ' PHE . 35.3 m -148.31 173.16 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 1.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.839 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.62 133.76 47.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 110.367 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.772 HG12 HG21 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -104.6 151.92 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 1.115 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.8 m -139.13 152.18 47.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 1.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.908 HG11 ' HG2' ' A' ' 74' ' ' MET . 10.0 p -144.78 107.81 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 1.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.699 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -124.81 114.3 19.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.657 ' O ' ' CG ' ' A' ' 70' ' ' GLU . . . 152.1 -131.78 3.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.478 1.111 . . . . 1.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -97.09 -66.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 1.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.658 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -39.03 -28.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.104 . . . . 1.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 1.168 ' O ' ' HG3' ' A' ' 74' ' ' MET . 4.4 mt-10 9.92 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.0 110.348 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -54.77 -74.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 1.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -38.97 -53.37 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.757 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -48.08 -80.01 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 1.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.178 ' O ' HG23 ' A' ' 78' ' ' VAL . 2.2 ppp? -51.7 -39.62 58.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 1.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.62 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -42.46 -65.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.795 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -49.42 -59.16 3.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 1.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.772 HG21 HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -45.73 -56.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 1.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.178 HG23 ' O ' ' A' ' 74' ' ' MET . 5.7 t -49.97 -60.79 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.993 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.25 -42.6 66.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 1.0 110.273 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.508 HG22 HD23 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -65.86 -51.47 58.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 1.0 110.41 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.898 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -43.55 -42.65 5.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 1.0 109.353 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -95.41 -16.93 21.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 1.0 110.285 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.993 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -80.63 -40.61 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 1.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.576 ' CD ' HD11 ' A' ' 21' ' ' LEU . 12.7 mm-40 -89.61 7.96 33.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 1.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.743 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 54.26 13.27 3.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.517 1.135 . . . . 1.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.119 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 2.7 tt -83.17 -6.84 59.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.104 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -161.17 158.17 27.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 1.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 1.0 110.288 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' VAL . 6.1 mt-10 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.301 -0.259 . . . . 1.0 110.301 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 1.041 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -134.46 144.41 48.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.0 109.307 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.831 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 43.1 tptt -127.51 111.39 13.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 1.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.787 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 2.1 mp0 -80.87 161.36 24.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 1.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.967 ' CE1' HG13 ' A' ' 78' ' ' VAL . 88.9 m-85 -164.51 -174.71 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 1.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.897 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -147.08 141.45 26.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.17 . . . . 1.0 109.597 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.0 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -70.11 128.26 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.745 HG13 ' HD2' ' A' ' 7' ' ' HIS . 16.1 m -121.8 4.53 6.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 1.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.582 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -87.17 -19.21 28.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 1.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.6 pt-20 45.77 17.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 110.247 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.679 HG21 ' HG3' ' A' ' 18' ' ' PRO . 3.9 t -75.59 -57.19 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 1.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.766 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 136.53 18.41 0.71 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 1.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.843 HG12 HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 40.58 73.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 1.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.881 ' HD1' ' HB2' ' A' ' 17' ' ' ARG . 2.3 p80 -97.29 176.2 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 1.0 109.628 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.76 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.41 -35.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.881 ' HB2' ' HD1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -65.52 -72.79 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.867 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.01 -30.34 7.24 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 1.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.124 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -57.53 -53.95 52.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 1.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.834 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -72.53 -33.31 66.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 1.0 110.392 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.648 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -42.34 -51.21 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 1.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.89 HD23 HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -73.12 -51.56 17.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 1.0 109.317 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.124 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -57.61 -45.42 86.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 1.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.834 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.0 pt20 -56.94 -40.0 75.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 1.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.816 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -83.93 -24.28 30.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 1.0 110.431 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.811 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -87.52 -33.51 18.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 1.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.732 ' N ' ' O ' ' A' ' 23' ' ' VAL . 5.5 t -93.43 39.18 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 109.972 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.761 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -143.96 25.41 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 1.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.816 ' CZ ' ' O ' ' A' ' 25' ' ' THR . 22.2 m-85 -118.27 128.2 54.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 1.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -54.01 -14.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 1.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.604 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . 66.5 p -104.81 -175.46 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.623 ' O ' ' HA ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -86.44 154.36 21.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 1.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.144 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -179.05 116.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 1.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.642 ' O ' HG13 ' A' ' 63' ' ' ILE . 39.1 m-20 -134.7 178.52 6.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 1.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.883 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.77 143.12 47.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 1.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.938 ' N ' ' O ' ' A' ' 62' ' ' THR . 54.2 tt0 -128.51 111.56 13.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 1.0 110.232 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 1.007 ' CD2' HG13 ' A' ' 55' ' ' VAL . 1.9 t80 -116.83 120.69 39.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 1.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.728 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 3.5 mtmt 70.63 1.56 3.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 1.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.59 -14.93 9.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 1.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.864 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -79.55 102.75 9.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 0.756 . . . . 1.0 109.273 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.587 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 5.4 t -108.22 110.72 22.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.611 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -147.65 154.9 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 1.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 1.031 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -46.16 86.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 1.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.76 ' O ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -18.39 -38.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.879 ' N ' ' O ' ' A' ' 43' ' ' ASN . 8.1 tmtt? -74.33 8.73 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 1.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 1.031 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.3 OUTLIER -89.7 80.84 6.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 110.007 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.876 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -40.14 -62.11 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.622 ' N ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -40.0 -71.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 110.965 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.507 ' O ' ' HB2' ' A' ' 53' ' ' LEU . . . -54.17 -50.91 53.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 1.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.76 HG21 ' O ' ' A' ' 44' ' ' LEU . 2.4 t -61.79 -51.31 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 1.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.876 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.1 mmm -36.42 -62.92 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 1.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.4 p -67.07 -21.82 65.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 109.962 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.887 HD22 ' CD2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -92.75 -97.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 1.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.495 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 57.13 159.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 1.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.018 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -135.92 -169.7 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 1.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.766 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 163.71 -100.75 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 1.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.746 ' O ' ' N ' ' A' ' 59' ' ' SER . 4.8 pt20 -36.72 90.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 1.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.828 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 36.31 17.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.496 1.122 . . . . 1.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.018 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.8 m -56.51 132.85 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 0.782 . . . . 1.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.873 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 3.5 p-10 -96.96 145.86 25.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.86 HG13 HG11 ' A' ' 55' ' ' VAL . 26.2 m -146.96 177.74 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.938 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -133.26 132.66 41.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.664 HG21 HG21 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -104.54 157.47 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 1.144 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.1 m -136.62 140.95 43.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.92 HG22 ' HA ' ' A' ' 70' ' ' GLU . 4.9 p -140.54 125.04 18.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 1.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -146.39 124.09 11.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.717 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 143.59 -149.7 21.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.443 1.09 . . . . 1.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.516 ' N ' ' HB3' ' A' ' 31' ' ' SER . . . -81.34 -48.66 11.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 1.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.689 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -63.13 -25.64 68.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 1.066 ' O ' ' HG3' ' A' ' 74' ' ' MET . 0.4 OUTLIER -4.93 -71.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 110.33 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -56.38 -75.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -45.35 -48.67 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 1.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.693 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -46.42 -80.51 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 1.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.066 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 2.2 ppp? -50.27 -42.62 52.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 1.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.601 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -40.29 -57.98 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.784 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -56.8 -60.77 3.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 1.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.664 HG21 HG21 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -44.6 -59.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 1.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 74' ' ' MET . 4.2 t -49.78 -60.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.928 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -53.58 -49.65 67.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 1.0 110.243 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.672 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -59.1 -44.37 91.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 1.0 110.397 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.979 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -47.47 -49.72 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 1.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.787 HE22 HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -92.57 -13.97 28.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.928 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -80.76 -39.48 26.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 80' ' ' THR . 5.4 mm-40 -95.98 12.9 28.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 56.9 13.5 8.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 1.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.0 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 3.0 mt -73.15 -42.12 63.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.979 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -142.02 163.7 32.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.634 ' HB3' HG11 ' A' ' 9' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 1.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.757 ' O ' HG12 ' A' ' 65' ' ' VAL . 5.4 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.313 -0.254 . . . . 1.0 110.313 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.962 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -111.67 150.46 30.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 1.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.808 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 37.0 tptt -141.38 113.97 8.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 1.0 109.237 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.2 mp0 -84.43 154.33 22.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.954 ' O ' ' O ' ' A' ' 61' ' ' VAL . 66.1 m-85 -160.04 -177.69 6.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 1.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 1.031 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -143.41 138.33 29.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 1.0 109.566 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.831 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.7 mm -64.69 121.88 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.752 HG13 ' HD2' ' A' ' 7' ' ' HIS . 15.4 m -116.56 4.02 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 1.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.537 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -81.43 -19.16 43.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 1.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 13.8 pt-20 45.48 18.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 1.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.897 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -80.63 -63.69 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.0 110.37 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.795 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 142.77 21.25 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 1.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.761 HG12 HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 35.94 71.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 1.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.897 ' CD2' HG23 ' A' ' 12' ' ' THR . 2.6 p80 -98.1 178.94 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 1.0 109.601 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.888 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.15 -34.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 1.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.865 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -67.22 -73.01 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 1.0 110.335 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.95 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.04 -27.49 9.91 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.494 1.786 . . . . 1.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.053 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -60.77 -48.83 80.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 1.139 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.31 -39.75 65.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 1.0 110.395 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.606 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -40.17 -57.18 1.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.818 HD23 HD13 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -67.82 -65.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.139 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 3.0 p -45.67 -53.17 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 1.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.759 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -50.76 -37.62 43.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.334 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.774 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -84.05 -25.66 29.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 110.416 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.755 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -85.71 -36.19 20.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.699 ' N ' ' O ' ' A' ' 23' ' ' VAL . 8.8 p -93.51 45.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 110.045 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.754 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -147.98 23.94 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.803 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.4 m-85 -117.62 135.92 53.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -59.24 -12.08 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.68 ' HB2' ' HA3' ' A' ' 67' ' ' GLY . 89.7 p -108.23 -176.16 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 1.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.803 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -87.76 154.91 20.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 1.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.02 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -176.97 115.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.696 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -128.91 179.16 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 1.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.908 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -119.83 142.0 49.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.838 ' O ' ' N ' ' A' ' 62' ' ' THR . 11.0 tm-20 -123.02 113.11 18.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 1.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.865 ' HB2' HG12 ' A' ' 61' ' ' VAL . 5.8 t80 -111.07 171.06 7.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 1.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.608 ' N ' ' CG ' ' A' ' 37' ' ' TYR . 19.4 mtpt -57.19 55.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 1.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.809 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -166.31 -43.23 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 1.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.934 ' HE2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER 172.25 -176.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 1.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.592 ' HB3' ' CG ' ' A' ' 36' ' ' GLU . 10.1 p -129.42 124.27 33.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 1.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.772 ' O ' ' N ' ' A' ' 44' ' ' LEU . 4.5 m -145.94 152.12 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 1.196 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.2 m120 -47.61 75.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 1.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.772 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -0.12 -45.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 1.0 109.293 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 1.196 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -68.57 2.97 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.844 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.3 t -87.27 83.31 7.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 1.0 109.972 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.824 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -40.2 -58.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 1.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.577 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -39.88 -74.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 110.976 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.622 ' HA3' HG21 ' A' ' 42' ' ' VAL . . . -54.28 -43.91 75.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.664 HG21 ' O ' ' A' ' 44' ' ' LEU . 1.2 t -63.02 -49.76 82.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 0.76 . . . . 1.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.824 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -42.06 -59.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.24 -11.43 60.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 1.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.934 HD12 ' HE2' ' A' ' 40' ' ' LYS . 5.0 tt -92.2 -94.94 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 1.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.547 ' N ' ' CD2' ' A' ' 53' ' ' LEU . . . 58.42 127.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 1.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.07 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -125.4 -175.22 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 1.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.795 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 157.86 -83.9 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 1.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.662 ' O ' ' CG ' ' A' ' 57' ' ' GLN . 5.2 pt20 -46.36 81.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 1.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.961 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 46.08 9.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 1.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.07 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.7 m -49.2 132.21 19.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 1.0 110.016 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.858 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 13.6 p-10 -96.43 147.76 23.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.954 ' O ' ' O ' ' A' ' 6' ' ' PHE . 34.9 m -149.71 174.02 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 1.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.838 ' N ' ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -132.49 123.13 26.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 1.0 110.358 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.846 HG12 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -95.37 144.13 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 1.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 1.02 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.7 m -130.0 140.23 50.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.098 HG11 ' HG2' ' A' ' 74' ' ' MET . 6.6 p -130.29 112.11 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 1.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.803 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -121.09 123.92 43.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.68 ' HA3' ' HB2' ' A' ' 31' ' ' SER . . . 130.53 -163.96 23.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 1.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -66.02 -65.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 1.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.688 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -39.36 -29.65 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.84 ' HA ' HG22 ' A' ' 65' ' ' VAL . 8.3 mt-10 -3.0 -73.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 1.0 110.335 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.768 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -55.69 -72.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 1.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -47.86 -49.95 27.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 1.0 110.286 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.72 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -46.24 -79.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.151 . . . . 1.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.111 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -55.16 -32.53 62.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 1.0 111.012 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -47.12 -54.95 9.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 1.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.802 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -62.85 -59.07 5.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.846 HG21 HG12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.91 -55.33 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 1.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.111 HG23 ' O ' ' A' ' 74' ' ' MET . 21.8 t -53.43 -60.84 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.931 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.34 -45.55 69.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.668 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -62.67 -48.99 76.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 1.0 110.401 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.049 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -45.0 -43.55 9.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.359 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.488 HE22 HG12 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -96.01 -17.06 21.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 1.0 110.334 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.931 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.4 -39.69 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 4.8 mm-40 -97.31 20.16 11.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 1.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 44.78 26.17 1.07 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.149 . . . . 1.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.95 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.5 mt -90.18 -7.3 53.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 0.761 . . . . 1.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.049 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -170.01 159.13 7.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 1.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.532 ' HB3' HG11 ' A' ' 9' ' ' VAL . 1.1 pt-20 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 1.0 110.292 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 65' ' ' VAL . 23.7 mt-10 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.284 -0.265 . . . . 1.0 110.284 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.984 ' CB ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.9 157.75 30.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.83 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 49.9 tptt -139.03 114.68 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 0.5 OUTLIER -87.28 150.47 23.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 110.267 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.857 ' HZ ' HG22 ' A' ' 78' ' ' VAL . 54.1 m-85 -148.85 -175.65 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 1.1 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -151.97 137.67 17.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 109.624 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.958 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.8 mm -65.65 125.01 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.823 HG13 ' HD2' ' A' ' 7' ' ' HIS . 15.8 m -123.24 14.36 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB3' HD12 ' A' ' 86' ' ' LEU . . . -102.32 -17.25 15.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.7 pt-20 47.21 17.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 1.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.817 HG23 ' CD2' ' A' ' 15' ' ' HIS . 1.3 t -71.31 -61.36 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 1.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.718 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 134.57 34.77 0.27 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 1.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.857 HG13 HD21 ' A' ' 86' ' ' LEU . 0.8 OUTLIER 29.96 75.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 1.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.972 ' HD1' ' HB2' ' A' ' 17' ' ' ARG . 2.5 p80 -98.42 172.95 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 1.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.867 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.15 -32.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 1.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.972 ' HB2' ' HD1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -64.1 -76.12 0.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 1.0 110.304 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.984 ' CB ' HD13 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.06 -26.7 10.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 1.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.059 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -61.15 -49.33 77.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 1.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 1.06 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.34 -41.48 63.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 1.0 110.359 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.772 HD13 ' HB3' ' A' ' 84' ' ' GLU . 3.4 tt -39.92 -54.78 2.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -68.42 -65.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 1.0 109.339 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.06 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 2.6 p -46.84 -51.95 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 1.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.784 ' N ' ' O ' ' A' ' 20' ' ' THR . 2.7 pt20 -51.24 -38.03 50.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.781 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -86.42 -34.69 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 1.0 110.462 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.758 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -79.46 -29.42 41.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 1.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.795 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -97.5 47.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 1.0 109.974 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.765 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -154.56 23.9 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 1.0 109.248 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.856 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.7 m-85 -120.15 135.11 55.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -66.11 -5.27 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 1.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.538 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -94.83 178.24 5.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 1.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.871 ' N ' ' O ' ' A' ' 66' ' ' ASP . 63.7 m-20 -96.53 88.02 4.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 1.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.077 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -110.27 127.08 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.593 ' O ' HG13 ' A' ' 63' ' ' ILE . 27.6 m-20 -140.48 176.29 8.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 1.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.901 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.92 145.15 45.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 1.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 1.106 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -130.51 112.44 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 1.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 1.358 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.1 t80 -113.68 124.71 52.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 1.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.692 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER 61.76 16.57 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 103.43 11.49 33.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.092 . . . . 1.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 1.106 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -100.9 96.07 7.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 0.749 . . . . 1.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 3.7 p -97.99 107.33 19.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.0 109.948 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.695 HG23 ' HB3' ' A' ' 46' ' ' SER . 1.0 OUTLIER -145.96 143.25 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.981 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.3 m120 -41.36 88.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 1.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.641 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -18.39 -39.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.875 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -66.16 0.95 1.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 1.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.981 ' N ' ' O ' ' A' ' 43' ' ' ASN . 8.3 t -86.95 67.44 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.762 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.3 tp -39.81 -44.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 1.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.3 ttp -47.12 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 1.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -53.06 -42.69 61.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 1.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.569 HG12 ' N ' ' A' ' 51' ' ' MET . 1.1 t -63.06 -57.45 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 1.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.762 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -38.14 -58.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 110.985 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.4 p -55.36 -30.47 60.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 1.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.358 HD22 ' CD2' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -94.82 -88.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 1.0 109.259 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 50' ' ' VAL . . . 60.1 133.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 1.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.085 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -111.12 -175.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 1.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.718 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 162.84 -89.32 0.11 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 1.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.767 ' O ' ' N ' ' A' ' 59' ' ' SER . 7.0 pt20 -43.23 90.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 0.816 . . . . 1.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.799 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 35.94 16.58 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 1.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.085 ' HB3' HG12 ' A' ' 55' ' ' VAL . 11.7 m -53.84 172.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 1.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.851 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 17.7 p-10 -133.5 146.65 51.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 1.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.869 HG11 HG21 ' A' ' 55' ' ' VAL . 27.5 m -148.1 176.79 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 1.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.95 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -136.14 135.7 39.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 1.0 110.42 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.806 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -106.97 156.4 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 1.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 1.077 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -137.4 149.58 47.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 1.0 110.415 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.894 HG11 ' HG2' ' A' ' 74' ' ' MET . 0.3 OUTLIER -142.32 118.08 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 1.0 109.258 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.871 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -139.07 121.11 15.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.59 ' O ' ' CG ' ' A' ' 70' ' ' GLU . . . 142.68 -133.32 5.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 1.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.582 ' C ' ' HG3' ' A' ' 70' ' ' GLU . . . -94.5 -60.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 1.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -42.58 -47.67 5.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.715 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER 21.06 -86.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 1.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.71 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -51.5 -68.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -50.37 -48.7 55.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 1.0 110.312 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.731 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -48.17 -79.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.083 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.39 -32.31 64.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 1.0 110.975 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -46.82 -55.18 8.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.853 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -61.39 -54.38 44.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 1.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.806 HG21 HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -47.93 -58.23 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.083 HG23 ' O ' ' A' ' 74' ' ' MET . 10.7 t -48.87 -60.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 1.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.979 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.75 -38.39 64.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 1.0 110.321 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.713 HG23 HD22 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -69.57 -57.21 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 1.0 110.382 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.946 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -38.02 -42.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.556 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -95.65 -18.65 20.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 1.0 110.27 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.979 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -72.7 -32.32 65.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 1.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.772 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -104.52 16.62 25.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.57 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 47.56 19.09 0.72 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 1.0 111.009 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.984 HD13 ' CB ' ' A' ' 18' ' ' PRO . 1.4 tp -91.04 1.1 57.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 1.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.1 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -174.16 156.12 2.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 1.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.435 ' HG2' HG11 ' A' ' 9' ' ' VAL . 11.1 mt-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 1.0 110.345 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 65' ' ' VAL . 18.4 mt-10 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.301 -0.259 . . . . 1.0 110.301 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.999 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -123.58 145.6 48.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.802 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 35.8 tptt -124.94 110.82 14.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 1.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.77 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 3.3 mp0 -84.34 143.13 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.993 ' O ' ' O ' ' A' ' 61' ' ' VAL . 23.4 m-85 -146.52 178.14 8.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 1.0 111.046 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 1.083 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -139.94 135.39 32.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 1.0 109.571 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 86' ' ' LEU . 3.5 mm -62.92 125.95 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 1.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.829 HG13 ' HD2' ' A' ' 7' ' ' HIS . 13.1 m -122.86 4.87 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -88.96 -15.29 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 1.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 12.9 pt-20 44.72 17.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 110.261 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.969 ' HG1' ' HE2' ' A' ' 15' ' ' HIS . 6.5 t -70.78 -56.85 5.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 1.0 110.393 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.828 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 132.87 18.6 1.08 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 1.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.785 HG12 HG23 ' A' ' 55' ' ' VAL . 0.4 OUTLIER 37.08 65.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 1.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.969 ' HE2' ' HG1' ' A' ' 12' ' ' THR . 3.3 p80 -95.5 179.08 5.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.617 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.837 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -41.16 -33.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 1.011 ' HB2' ' HD3' ' A' ' 18' ' ' PRO . 4.1 mmm180 -69.58 -70.39 0.35 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 1.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 1.011 ' HD3' ' HB2' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -74.99 -27.69 9.82 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 1.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.05 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -61.16 -49.54 76.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 1.129 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -71.71 -39.92 69.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 1.0 110.387 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.597 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.1 tt -39.86 -58.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 1.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.799 HD23 HD13 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -67.75 -65.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.129 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 4.6 p -45.81 -53.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.779 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.0 OUTLIER -49.78 -38.19 33.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 110.299 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.847 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.93 -26.6 27.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 1.0 110.408 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.782 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -86.96 -34.34 19.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 1.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.8 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -91.92 43.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 1.0 110.015 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.859 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.28 21.11 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 1.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.874 ' HZ ' ' HB3' ' A' ' 76' ' ' ALA . 21.3 m-85 -117.24 142.84 46.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -72.62 -1.28 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 1.0 109.216 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.517 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -100.25 178.12 4.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 1.0 110.036 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.808 ' N ' ' O ' ' A' ' 66' ' ' ASP . 16.3 m-20 -96.12 88.47 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 1.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.063 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -110.69 128.28 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 1.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.569 ' O ' HG13 ' A' ' 63' ' ' ILE . 20.0 m-20 -138.39 176.56 8.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 1.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.941 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -120.46 139.58 52.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 1.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.914 ' O ' ' N ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -125.22 120.29 30.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 1.0 110.275 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 1.272 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.4 t80 -123.7 125.13 44.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 1.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.638 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 13.7 mtpt 73.71 -2.24 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 118.66 -1.33 15.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 1.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.883 ' HB3' HD11 ' A' ' 53' ' ' LEU . 13.6 tttt -97.26 108.84 21.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 1.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.646 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 2.9 t -103.58 118.78 37.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 1.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 46' ' ' SER . 1.0 OUTLIER -146.34 142.78 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 1.0 109.221 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.968 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.6 m120 -42.64 87.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 1.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.633 ' C ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -18.73 -37.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 109.286 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.911 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -65.91 -2.37 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 1.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.968 ' N ' ' O ' ' A' ' 43' ' ' ASN . 30.3 t -87.09 68.87 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.795 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.3 tp -39.95 -55.06 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 1.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.534 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 8.8 ttp -40.0 -73.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 1.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.746 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -56.74 -51.85 54.33 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.442 1.089 . . . . 1.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -55.82 -51.8 55.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 1.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.795 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -42.28 -52.32 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 1.0 111.034 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -25.61 68.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 1.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.272 HD22 ' CD2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -92.36 -86.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 1.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.652 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 55.35 146.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 1.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.005 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -127.9 -171.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 1.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.828 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 160.23 -94.89 0.13 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.14 . . . . 1.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.658 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.7 mt-30 -39.45 85.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 1.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.873 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 41.72 12.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 1.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.005 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.1 m -54.24 138.58 38.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 1.0 109.985 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.831 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 6.9 p-10 -100.85 148.48 24.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 1.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.993 ' O ' ' O ' ' A' ' 6' ' ' PHE . 30.8 m -148.3 -178.6 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 1.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.914 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -137.28 131.56 32.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 110.399 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.94 HG12 HG21 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -102.77 152.76 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 1.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 1.063 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 m -135.68 148.51 48.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 1.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.095 HG11 ' HG2' ' A' ' 74' ' ' MET . 4.5 p -146.96 120.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 1.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.808 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.59 120.71 13.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.552 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 146.54 -143.96 12.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 1.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.586 ' C ' ' HG3' ' A' ' 70' ' ' GLU . . . -88.9 -48.42 7.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 0.745 . . . . 1.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.655 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -55.04 -37.33 66.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 1.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.777 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER 11.58 -88.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 110.349 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.695 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -48.62 -70.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 1.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 69' ' ' ASP . 2.1 tp10 -45.67 -52.07 11.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 1.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.763 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -50.29 -80.24 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.156 . . . . 1.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.175 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -52.72 -33.97 50.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 0.729 . . . . 1.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -45.75 -58.79 3.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 1.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.874 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -57.49 -57.15 13.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 1.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.94 HG21 HG12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -48.19 -56.41 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.175 HG23 ' O ' ' A' ' 74' ' ' MET . 14.1 t -51.14 -60.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.894 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -54.18 -48.15 71.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 1.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.599 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -60.32 -52.21 66.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 1.0 110.379 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.008 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -42.6 -44.04 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 109.357 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -95.61 -18.99 20.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 1.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.894 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -79.34 -43.21 23.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 80' ' ' THR . 6.3 mm-40 -91.74 13.19 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 1.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.621 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 53.12 16.13 4.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.423 1.077 . . . . 1.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.821 ' O ' HD12 ' A' ' 8' ' ' ILE . 7.5 mt -83.68 3.57 32.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 1.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.083 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -177.34 160.81 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 1.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.618 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 1.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 65' ' ' VAL . 40.6 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.285 -0.265 . . . . 1.0 110.285 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 1.013 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -122.48 160.54 25.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 1.0 109.303 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.796 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.0 tptt -142.54 113.73 7.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 1.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.691 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 2.4 mp0 -90.04 151.32 21.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 1.0 110.34 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.988 ' O ' ' O ' ' A' ' 61' ' ' VAL . 44.5 m-85 -149.05 -177.8 6.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 1.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.968 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -144.47 137.85 27.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 1.0 109.596 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.198 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.2 mm -62.05 125.43 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 1.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 85' ' ' GLY . 15.8 m -125.83 2.19 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 1.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.632 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -84.17 -18.2 37.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 12.2 pt-20 47.0 14.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.758 HG23 ' CD2' ' A' ' 15' ' ' HIS . 1.3 t -74.84 -60.05 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 1.0 110.449 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.728 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 140.04 17.94 0.45 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 1.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.93 HG12 HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER 46.91 74.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 1.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.878 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 2.4 p80 -100.93 172.12 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.633 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.923 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.0 -32.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.924 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -62.52 -76.43 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 1.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.924 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -75.0 -27.53 9.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 1.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.995 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -63.66 -48.76 75.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 1.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 1.086 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -74.3 -40.15 62.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 1.0 110.397 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.038 HD22 ' HG2' ' A' ' 84' ' ' GLU . 3.2 tt -40.98 -53.14 3.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 1.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.682 HD23 HD13 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -69.68 -65.35 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 1.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.086 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 3.0 p -47.44 -50.71 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 1.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.777 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -52.44 -38.91 60.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 1.0 110.296 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.734 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -83.79 -33.46 24.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 1.0 110.37 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.903 ' CB ' HD22 ' A' ' 44' ' ' LEU . . . -79.39 -33.27 42.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.763 ' N ' ' O ' ' A' ' 23' ' ' VAL . 25.7 p -91.9 49.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 110.024 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.746 ' CD ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -157.99 24.49 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 1.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.814 ' HZ ' ' HB3' ' A' ' 76' ' ' ALA . 22.6 m-85 -120.85 136.17 54.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -67.51 -4.3 11.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 1.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.505 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -93.17 178.0 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 1.0 110.016 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.815 ' N ' ' O ' ' A' ' 66' ' ' ASP . 22.5 m-20 -95.3 76.66 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 1.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.064 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -100.21 128.19 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 1.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.673 ' O ' HG13 ' A' ' 63' ' ' ILE . 27.9 m-20 -136.74 175.72 9.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 1.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.146 HD13 ' CD1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -121.09 144.89 48.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 1.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 1.02 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -126.48 98.18 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 110.322 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 1.146 ' CD1' HD13 ' A' ' 35' ' ' LEU . 5.9 m-30 -104.88 145.29 30.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.792 ' HB2' HD21 ' A' ' 53' ' ' LEU . 17.3 mtmt 50.85 20.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 1.0 109.322 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 37' ' ' TYR . . . 87.61 37.31 8.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 1.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 1.02 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -135.86 109.4 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 1.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.654 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 1.1 p -95.58 114.69 26.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.0 109.991 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.663 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -145.88 142.73 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 1.0 109.326 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.95 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.3 m120 -40.06 86.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.903 HD22 ' CB ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -19.72 -39.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 1.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.831 ' N ' ' O ' ' A' ' 43' ' ' ASN . 5.6 ttmt -62.46 -3.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.95 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.4 t -87.4 61.77 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 1.0 110.054 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.837 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.4 tp -40.07 -49.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 1.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.453 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 9.4 ttp -41.38 -75.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.574 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -53.2 -45.91 63.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 1.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.764 ' CG2' HD21 ' A' ' 35' ' ' LEU . 1.1 t -62.97 -49.88 81.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.837 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -41.04 -58.68 1.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 1.0 111.025 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 p -62.08 -17.72 58.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.894 HD12 ' CE ' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -93.14 -91.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 1.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 56.36 150.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.573 1.17 . . . . 1.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.069 HG22 ' CD2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -134.36 -174.85 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 1.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.882 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . 170.33 -80.35 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 1.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.7 ' C ' ' H ' ' A' ' 59' ' ' SER . 4.4 pt20 -40.0 72.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 1.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.948 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 45.89 5.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.14 . . . . 1.0 111.045 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.745 ' CB ' HG12 ' A' ' 55' ' ' VAL . 75.5 m -41.27 165.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 1.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.73 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.2 p30 -111.89 158.1 19.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 1.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.988 ' O ' ' O ' ' A' ' 6' ' ' PHE . 30.3 m -150.97 178.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.862 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -148.95 139.1 22.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 1.0 110.433 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.942 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -116.06 157.3 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 1.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 1.064 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.8 m -139.72 148.27 42.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 110.452 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.057 HG11 ' HG2' ' A' ' 74' ' ' MET . 4.9 p -143.73 107.27 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.815 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -129.42 120.58 25.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.648 ' O ' ' CD ' ' A' ' 70' ' ' GLU . . . 146.14 -129.98 3.56 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 1.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.505 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . -97.41 -67.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 1.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.652 ' O ' ' N ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -36.67 -37.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 1.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.758 ' HA ' HG22 ' A' ' 65' ' ' VAL . 3.7 mt-10 15.79 -82.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 1.0 110.349 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.652 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -55.28 -73.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -43.61 -51.03 7.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 1.0 110.257 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.708 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -48.58 -78.8 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 1.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.12 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.84 -31.67 64.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 1.0 110.924 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -47.4 -56.98 5.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 1.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.814 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -60.95 -56.07 25.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 1.0 109.346 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.942 HG21 HG21 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.35 -58.17 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.12 HG23 ' O ' ' A' ' 74' ' ' MET . 20.2 t -48.43 -61.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 1.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.93 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -53.74 -37.53 63.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.0 110.345 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.64 ' O ' ' CD ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -69.49 -56.14 8.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 1.0 110.405 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.871 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -39.06 -42.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 1.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.583 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -95.68 -16.16 22.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.93 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -76.98 -37.36 55.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 1.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 1.038 ' HG2' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -93.62 3.94 54.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.866 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 60.87 4.82 4.69 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 1.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.198 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 1.5 tt -74.13 -15.11 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 1.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.968 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -156.35 164.57 38.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 1.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.8 ' HG2' HG11 ' A' ' 9' ' ' VAL . 15.2 mt-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 1.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.259 -0.274 . . . . 1.0 110.259 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 1.036 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.7 150.7 41.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 1.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.812 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.0 tptt -133.21 112.9 12.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.749 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 0.9 OUTLIER -85.09 156.39 21.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 1.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.825 ' HE2' HG13 ' A' ' 78' ' ' VAL . 69.9 m-85 -155.8 -176.28 5.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.931 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -146.03 136.43 23.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 1.0 109.557 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.102 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 2.9 mm -64.43 124.02 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 1.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.827 HG11 ' HG2' ' A' ' 88' ' ' GLU . 14.1 m -121.22 2.38 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 1.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -86.95 -16.45 35.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 7.8 pt-20 46.43 15.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 1.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.843 ' HG1' ' HE2' ' A' ' 15' ' ' HIS . 6.6 t -67.94 -57.36 6.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 1.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.797 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 135.88 12.2 1.18 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.477 1.111 . . . . 1.0 111.037 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.728 HG12 HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER 44.06 68.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.415 0.715 . . . . 1.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.866 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.5 p80 -97.84 176.92 5.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 1.0 109.592 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.74 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.5 -35.2 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.864 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.91 -72.52 0.27 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 1.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.866 ' HD3' ' CE1' ' A' ' 15' ' ' HIS . 18.3 Cg_endo -74.99 -31.39 6.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 1.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.125 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -56.83 -53.71 54.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.901 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -72.34 -35.1 68.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 1.0 110.379 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.642 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.8 tt -39.88 -51.67 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 1.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.823 HD23 HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -73.63 -51.76 15.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.125 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -57.39 -44.83 85.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 1.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.839 ' N ' ' O ' ' A' ' 20' ' ' THR . 6.7 pt20 -58.45 -39.37 79.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 1.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.767 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.69 -28.23 26.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 1.0 110.348 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.804 ' HB1' ' CD1' ' A' ' 33' ' ' ILE . . . -83.91 -35.61 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 1.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.718 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -91.76 45.59 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 1.0 110.002 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.81 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -149.49 21.05 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.845 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.4 m-85 -118.08 137.38 52.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 1.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -63.1 -5.76 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 1.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.521 ' OG ' ' CA ' ' A' ' 67' ' ' GLY . 0.5 OUTLIER -98.11 174.2 6.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 110.029 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.871 ' N ' ' O ' ' A' ' 66' ' ' ASP . 3.2 m-20 -95.17 92.88 7.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 1.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.093 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -114.52 127.67 71.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 1.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.577 ' O ' HG13 ' A' ' 63' ' ' ILE . 36.0 m-20 -138.04 176.19 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 1.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.879 HD12 ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -118.74 143.2 47.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 1.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.982 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -128.41 112.95 14.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 1.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 1.262 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.3 t80 -114.16 123.35 49.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 1.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.676 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 16.5 mtmt 73.38 -1.3 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 1.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.64 -2.42 13.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 1.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.982 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -93.63 107.4 19.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 1.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.663 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 3.1 p -102.39 114.36 28.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 1.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.815 HG13 ' HD3' ' A' ' 40' ' ' LYS . 4.3 m -145.51 145.4 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 1.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 1.006 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.9 m-20 -41.94 86.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 1.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.655 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -17.45 -41.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.863 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -66.49 1.55 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 1.006 ' N ' ' O ' ' A' ' 43' ' ' ASN . 6.0 t -88.53 68.6 8.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 1.0 109.949 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.855 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -40.05 -51.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.26 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.478 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 12.6 ttp -40.01 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 1.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.537 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -54.75 -47.49 71.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 1.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.1 t -60.06 -53.33 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 1.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.855 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.3 tpp -39.7 -54.48 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.2 p -58.93 -26.48 64.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.262 HD22 ' CD2' ' A' ' 37' ' ' TYR . 1.8 mt -92.74 -87.34 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 1.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.42 125.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 1.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.994 HG12 ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -108.91 -173.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 1.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.797 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 159.62 -92.15 0.12 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 1.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.679 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.2 mt-30 -36.56 81.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 1.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.931 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 41.69 11.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.097 . . . . 1.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.994 ' CB ' HG12 ' A' ' 55' ' ' VAL . 13.0 m -47.63 173.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 1.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.905 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.5 p30 -135.05 146.05 48.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 1.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.81 HG13 HG11 ' A' ' 55' ' ' VAL . 27.7 m -148.02 173.55 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.868 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -126.94 146.82 50.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 1.0 110.386 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.645 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -118.17 154.32 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 1.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 1.093 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -137.95 149.43 46.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 1.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.123 HG11 ' HG2' ' A' ' 74' ' ' MET . 5.9 p -143.97 123.03 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 1.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.871 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -138.24 123.94 19.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.596 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 140.56 -142.31 12.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 1.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.597 ' C ' ' HG3' ' A' ' 70' ' ' GLU . . . -92.13 -47.56 7.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 1.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.687 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -56.23 -26.76 52.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 1.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.803 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER 0.79 -79.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 1.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.589 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -55.36 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 1.0 109.342 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -41.66 -51.04 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 1.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.787 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -50.07 -81.03 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 1.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.172 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -53.84 -32.91 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 1.0 110.962 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -47.17 -58.46 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.767 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -57.21 -57.02 14.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.645 HG21 HG21 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.57 -57.19 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 1.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.172 HG23 ' O ' ' A' ' 74' ' ' MET . 9.7 t -50.06 -59.92 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 1.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.93 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -55.66 -46.83 77.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.602 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -60.12 -45.1 94.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 1.0 110.414 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.009 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.39 -47.12 37.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 1.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.507 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 3.7 pt20 -94.5 -11.61 29.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 1.0 110.321 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.93 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -84.38 -39.9 18.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 1.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.547 ' CD ' HD11 ' A' ' 21' ' ' LEU . 10.2 mm-40 -92.66 7.94 41.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 1.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.669 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 61.38 6.83 8.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 1.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.102 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.6 mt -67.45 -41.35 84.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 1.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.009 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -138.6 176.24 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.827 ' HG2' HG11 ' A' ' 9' ' ' VAL . 18.2 mt-10 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.843 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.312 -0.255 . . . . 1.0 110.312 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 1.023 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -96.63 147.55 23.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.802 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.8 tptt -140.39 114.57 9.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 1.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.742 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 4.4 mp0 -83.46 160.05 21.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 110.358 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.811 ' O ' ' O ' ' A' ' 61' ' ' VAL . 76.4 m-85 -160.31 -176.46 5.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 1.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.924 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -147.97 135.62 20.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.593 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.943 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -63.63 125.73 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 85' ' ' GLY . 17.3 m -122.23 1.78 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 1.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.514 ' CB ' ' HA ' ' A' ' 86' ' ' LEU . . . -88.51 -15.98 33.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 1.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 10.5 pt-20 45.52 17.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 110.276 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.911 ' HG1' ' HE2' ' A' ' 15' ' ' HIS . 7.4 t -67.2 -54.89 16.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 1.0 110.424 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.749 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 133.46 10.03 1.96 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.492 1.12 . . . . 1.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.756 HD12 ' CD2' ' A' ' 86' ' ' LEU . 0.2 OUTLIER 46.7 65.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.569 0.805 . . . . 1.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.93 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.2 p80 -94.86 178.42 5.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 1.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.755 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -41.7 -33.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.978 ' HB2' ' HD3' ' A' ' 18' ' ' PRO . 7.8 mmm180 -67.82 -71.4 0.32 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.978 ' HD3' ' HB2' ' A' ' 17' ' ' ARG . 18.5 Cg_endo -74.93 -30.62 7.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 1.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.141 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -57.79 -54.67 44.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 1.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.875 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -71.31 -35.58 71.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 110.387 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.66 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.6 tt -39.92 -52.11 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 1.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.804 HD23 HD13 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -73.15 -53.0 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 1.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.141 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.42 -44.67 80.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.84 ' N ' ' O ' ' A' ' 20' ' ' THR . 4.8 pt20 -58.26 -39.12 78.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.752 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -85.26 -30.45 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 110.407 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.812 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.79 -31.55 23.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 1.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.781 ' N ' ' O ' ' A' ' 23' ' ' VAL . 2.3 p -93.08 42.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 1.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.806 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.18 21.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.274 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.806 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 21.7 m-85 -117.62 135.54 53.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 1.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -66.54 -4.49 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' A' ' 69' ' ' ASP . 14.5 m -97.99 177.67 5.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 110.028 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.834 ' N ' ' O ' ' A' ' 66' ' ' ASP . 1.1 m-20 -93.33 95.92 9.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 1.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.08 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -120.17 125.83 74.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 1.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.56 ' O ' HG13 ' A' ' 63' ' ' ILE . 20.8 m-20 -140.64 175.81 9.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 1.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.938 HD12 ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -118.61 146.89 44.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 109.358 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.938 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -131.61 116.63 17.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 1.0 110.302 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.762 ' CB ' HG12 ' A' ' 61' ' ' VAL . 3.8 t80 -115.95 118.62 33.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 1.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.59 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 19.1 mtmt 71.02 5.36 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.348 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.425 ' C ' ' HG2' ' A' ' 36' ' ' GLU . . . 117.18 -7.82 16.33 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 1.0 111.03 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.937 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 4.1 tmmm? -85.93 101.1 12.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 1.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.607 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 2.6 t -101.73 115.31 30.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 1.0 110.004 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.682 ' O ' ' N ' ' A' ' 44' ' ' LEU . 5.8 m -147.88 144.17 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 1.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.976 ' O ' ' N ' ' A' ' 46' ' ' SER . 5.0 m-80 -41.54 85.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 1.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.682 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -15.34 -42.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.901 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -64.97 0.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 1.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.976 ' N ' ' O ' ' A' ' 43' ' ' ASN . 13.7 t -87.46 78.55 8.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 1.0 110.055 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.83 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -39.93 -56.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 1.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.592 ' HE2' ' H ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -40.82 -73.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 1.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.592 ' H ' ' HE2' ' A' ' 48' ' ' MET . . . -57.19 -41.34 92.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 1.0 110.99 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.62 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.7 OUTLIER -65.29 -57.01 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 1.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.83 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.3 tpp -40.09 -44.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 1.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.9 p -73.81 -25.4 60.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 1.0 109.965 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.789 HD21 HD21 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -87.87 -60.19 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.753 ' N ' HD12 ' A' ' 53' ' ' LEU . . . 17.82 104.42 0.0 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 1.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.949 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -94.32 -175.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 1.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.793 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . 167.75 -94.33 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 1.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.662 ' C ' ' H ' ' A' ' 59' ' ' SER . 8.5 pt20 -33.64 79.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.764 . . . . 1.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.924 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 44.55 8.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.5 1.125 . . . . 1.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.949 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.7 m -45.87 162.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.736 . . . . 1.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.902 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 3.9 p30 -125.49 147.08 49.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 1.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.811 ' O ' ' O ' ' A' ' 6' ' ' PHE . 30.0 m -147.01 174.53 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 1.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.904 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -130.05 135.95 48.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.0 110.392 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.725 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -107.26 157.52 7.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 1.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 1.08 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 m -138.77 145.53 40.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 1.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.039 HG11 ' HG2' ' A' ' 74' ' ' MET . 1.6 p -144.25 123.9 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.834 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -142.83 127.44 18.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.578 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 134.13 -151.55 20.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 1.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.551 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -77.91 -57.98 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.766 . . . . 1.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.671 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -54.42 -29.57 49.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 1.0 109.247 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 1.011 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.8 pp20? -10.05 -61.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 1.0 110.268 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.865 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -58.89 -75.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 1.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -50.8 -46.03 59.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.743 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -46.69 -77.89 0.09 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.446 1.091 . . . . 1.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.16 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.01 -33.55 64.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 0.808 . . . . 1.0 111.007 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -47.55 -53.53 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 1.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.773 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -62.43 -59.23 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 1.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.725 HG21 HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -45.0 -57.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.16 HG23 ' O ' ' A' ' 74' ' ' MET . 15.2 t -50.51 -60.87 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 1.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.895 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -55.04 -49.79 70.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 110.245 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.572 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -58.49 -47.1 85.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 1.0 110.449 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.798 HD13 ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -45.21 -48.0 12.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 1.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.545 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 6.0 pt20 -95.44 -12.51 25.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 1.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.895 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.53 -40.62 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 1.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.558 ' CD ' HD11 ' A' ' 21' ' ' LEU . 8.7 mm-40 -91.42 5.09 50.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 1.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.826 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 67.69 -4.73 3.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.943 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.3 mt -53.78 -50.4 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 0.754 . . . . 1.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.834 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -130.84 174.7 9.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 1.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.573 ' O ' HG12 ' A' ' 65' ' ' VAL . 10.6 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.327 -0.249 . . . . 1.0 110.327 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 1.011 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.1 OUTLIER -115.57 142.87 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.805 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 39.1 tptt -124.9 109.91 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 1.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.712 ' HG3' HG23 ' A' ' 62' ' ' THR . 3.0 mp0 -84.92 143.06 29.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 1.006 ' O ' ' O ' ' A' ' 61' ' ' VAL . 23.4 m-85 -145.4 -178.48 6.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.954 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -145.49 143.2 29.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.0 109.619 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.735 HG21 ' HA2' ' A' ' 56' ' ' GLY . 3.7 mm -73.25 107.4 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 1.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.998 ' N ' ' O ' ' A' ' 86' ' ' LEU . 14.9 m -93.24 10.45 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 85' ' ' GLY . . . -126.83 117.02 21.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 1.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 12' ' ' THR . 7.8 pt-20 -60.82 -3.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 1.04 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -31.56 -76.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 110.412 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.851 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 130.06 31.68 0.57 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 1.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.913 ' CD1' HD21 ' A' ' 86' ' ' LEU . 0.9 OUTLIER 31.2 73.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 1.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 1.04 ' CD2' HG23 ' A' ' 12' ' ' THR . 2.4 p80 -97.14 174.88 6.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.585 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.719 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -39.92 -34.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.911 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -63.84 -75.59 0.13 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.911 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.04 -27.78 9.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 1.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.136 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -58.42 -52.96 63.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.876 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.71 -37.79 65.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 1.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.679 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 3.6 tt -39.94 -49.18 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 1.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -74.05 -52.21 13.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.136 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -58.71 -44.8 90.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 1.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.847 ' N ' ' O ' ' A' ' 20' ' ' THR . 7.8 pt20 -57.96 -39.23 77.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.708 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -86.46 -34.58 20.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 110.423 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.849 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -73.43 -38.89 65.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 1.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -90.89 14.61 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.0 109.989 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.876 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -104.02 5.97 35.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 1.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.981 ' HZ ' ' HB3' ' A' ' 76' ' ' ALA . 12.3 m-85 -109.31 165.21 11.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 1.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -94.28 0.81 55.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 1.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -95.88 177.88 5.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 1.0 110.003 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.8 ' N ' ' O ' ' A' ' 66' ' ' ASP . 15.3 m-20 -95.84 81.62 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.13 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -106.63 125.67 62.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.572 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 19.2 m-20 -138.08 178.0 7.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.908 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.26 141.06 48.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 1.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.852 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 30.4 tt0 -124.14 116.24 22.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 1.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.759 ' CB ' HG12 ' A' ' 61' ' ' VAL . 3.5 t80 -116.06 114.31 24.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 1.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.618 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 12.7 mtmt 70.35 5.03 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.448 ' C ' ' HG3' ' A' ' 36' ' ' GLU . . . 120.17 -7.73 11.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 1.0 111.016 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.852 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -86.34 98.04 10.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 1.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.619 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 3.8 p -102.23 111.16 23.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 110.036 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.763 HG13 ' HD2' ' A' ' 40' ' ' LYS . 4.3 m -144.3 147.08 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.0 109.363 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.986 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.1 m120 -42.41 81.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.731 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -12.87 -43.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 1.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.957 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.4 tttt -67.65 3.83 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 1.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.986 ' N ' ' O ' ' A' ' 43' ' ' ASN . 16.3 t -89.1 81.62 6.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 1.0 109.959 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.775 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -39.86 -56.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.551 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 10.3 ttp -41.39 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.518 ' HA3' HG21 ' A' ' 42' ' ' VAL . . . -54.75 -43.45 80.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 1.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.688 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.8 OUTLIER -61.7 -59.8 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 1.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.775 ' N ' ' O ' ' A' ' 47' ' ' ILE . 13.9 mmm -39.56 -42.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.0 p -76.02 -26.02 56.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 1.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.686 HD12 ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -90.83 -56.09 3.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 1.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.688 ' N ' ' O ' ' A' ' 50' ' ' VAL . . . 15.8 108.53 0.0 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.587 1.179 . . . . 1.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.98 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -100.95 -175.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 1.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.851 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 164.96 -91.29 0.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.119 . . . . 1.0 111.047 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.669 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.6 mt-30 -35.56 83.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 1.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.751 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 40.06 15.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 1.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.98 ' HB3' HG12 ' A' ' 55' ' ' VAL . 4.0 m -51.73 172.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 1.0 110.04 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.764 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.7 p30 -136.18 145.26 45.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 1.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.006 ' O ' ' O ' ' A' ' 6' ' ' PHE . 26.9 m -147.15 177.45 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 1.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.85 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -132.67 133.36 43.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.0 110.391 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.707 HG22 ' HB3' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -102.69 153.61 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.238 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 1.13 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 m -139.63 148.83 43.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 1.0 110.44 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.066 HG11 ' HG2' ' A' ' 74' ' ' MET . 5.1 p -142.34 112.91 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.8 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -129.84 121.83 27.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 1.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.608 ' O ' ' CD ' ' A' ' 70' ' ' GLU . . . 143.55 -129.69 3.8 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.547 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . -98.83 -69.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.734 . . . . 1.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.675 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -37.94 -29.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 1.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.77 ' HA ' HG22 ' A' ' 65' ' ' VAL . 40.0 mt-10 8.36 -84.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -54.48 -70.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -44.39 -50.61 9.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 1.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.772 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -49.4 -79.31 0.07 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.559 1.162 . . . . 1.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.205 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -51.64 -33.84 35.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 1.0 110.957 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -46.6 -61.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 1.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.981 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -53.6 -55.21 27.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 1.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.631 HG21 HG12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.43 -55.44 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 1.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.205 HG23 ' O ' ' A' ' 74' ' ' MET . 4.6 t -51.26 -62.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.943 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -52.99 -37.09 61.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 110.344 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.656 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -70.02 -55.35 9.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 1.0 110.371 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.015 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -39.06 -42.71 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 1.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.509 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 2.6 pt20 -95.43 -17.55 21.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 110.341 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.943 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -73.91 -32.24 63.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.666 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -97.74 8.06 45.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 1.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.7 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 60.1 6.84 5.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.46 1.1 . . . . 1.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.998 ' O ' ' N ' ' A' ' 9' ' ' VAL . 1.8 tp -71.02 -59.24 2.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 1.015 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -116.06 164.85 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.653 ' HG2' HG11 ' A' ' 9' ' ' VAL . 61.4 mt-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 1.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.567 ' O ' HG12 ' A' ' 65' ' ' VAL . 7.6 mt-10 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.29 -0.263 . . . . 1.0 110.29 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.965 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -104.88 134.88 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 1.0 109.337 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.824 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 43.9 tptt -121.08 111.75 17.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.696 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 8.5 mp0 -82.48 157.11 23.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 1.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.89 ' O ' ' O ' ' A' ' 61' ' ' VAL . 86.3 m-85 -157.53 -177.5 6.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.893 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -145.73 134.12 21.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 1.0 109.606 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.015 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -62.06 129.77 25.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 1.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.802 HG13 ' HD2' ' A' ' 7' ' ' HIS . 16.5 m -127.41 20.36 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 1.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.634 ' CB ' HD23 ' A' ' 86' ' ' LEU . . . -101.99 -17.16 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.526 ' HA ' ' H ' ' A' ' 58' ' ' GLY . 11.2 pt-20 45.39 18.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 1.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.784 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -80.19 -60.59 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 1.0 110.346 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.778 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 134.88 54.15 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 1.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.823 HG23 ' HA ' ' A' ' 19' ' ' ALA . 1.1 mp 2.39 76.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 1.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.893 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.0 p80 -97.82 176.84 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 1.0 109.619 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.77 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.2 -36.36 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 1.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.871 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -63.86 -73.22 0.22 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 1.0 110.325 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.939 ' HB2' HD11 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.95 -30.63 7.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.477 1.778 . . . . 1.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 1.134 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -56.38 -53.7 54.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 1.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.822 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -72.04 -35.32 69.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 110.367 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.634 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -40.8 -51.72 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.726 HD23 ' O ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -72.46 -52.68 14.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.134 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -55.99 -45.85 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 1.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.805 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.0 pt20 -57.82 -38.72 76.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 1.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.816 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.01 -25.68 29.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 110.433 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.766 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -86.88 -33.94 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.718 ' N ' ' O ' ' A' ' 23' ' ' VAL . 36.2 t -93.66 39.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.791 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -143.7 23.36 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 1.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.816 ' CZ ' ' O ' ' A' ' 25' ' ' THR . 21.9 m-85 -116.42 128.28 55.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -50.84 -16.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 1.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.597 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . 32.5 p -104.22 -177.74 3.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 1.0 110.039 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.77 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -86.76 155.51 20.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 1.069 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -179.47 117.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 1.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.568 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 23.9 m-20 -130.74 179.71 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 1.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.873 HD12 ' N ' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -119.29 148.19 43.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.924 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -128.42 115.38 18.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 1.0 110.278 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 1.297 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.8 t80 -118.89 124.17 46.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 1.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.655 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 9.8 mtmt 72.86 0.63 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.43 -1.87 22.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.547 1.154 . . . . 1.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.945 ' HB3' HD11 ' A' ' 53' ' ' LEU . 10.8 tttt -96.83 108.11 20.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 0.735 . . . . 1.0 109.354 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.594 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 4.2 p -101.38 116.19 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.603 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -146.15 147.42 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 1.0 109.291 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 1.019 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.7 OUTLIER -41.68 89.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 1.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -23.39 -38.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.761 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -74.78 9.89 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 1.019 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.7 t -93.43 78.32 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 1.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.803 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -41.21 -59.47 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.594 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -39.92 -68.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 110.962 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.86 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -57.4 -55.25 31.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 1.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.544 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -56.27 -50.17 72.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 0.731 . . . . 1.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.803 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.8 tpp -40.81 -54.11 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.475 ' OG ' ' NZ ' ' A' ' 40' ' ' LYS . 1.1 p -64.57 -24.89 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 109.957 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.297 HD22 ' CD2' ' A' ' 37' ' ' TYR . 2.1 mt -94.25 -93.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 1.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.613 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 63.62 137.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.148 . . . . 1.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.026 HG12 ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -124.54 -171.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 1.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.778 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 157.13 -86.21 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 1.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.691 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.9 pt20 -40.98 80.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 1.0 110.273 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.893 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 41.8 11.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.438 1.086 . . . . 1.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 1.026 ' CB ' HG12 ' A' ' 55' ' ' VAL . 27.3 m -48.45 165.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 1.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.823 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.7 p30 -125.69 143.93 50.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.89 ' O ' ' O ' ' A' ' 6' ' ' PHE . 35.5 m -146.89 174.61 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 1.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.924 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.81 141.44 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.417 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.739 HG21 HG21 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -112.79 148.67 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 1.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 1.069 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.5 m -133.18 139.46 47.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 110.453 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.054 HG22 ' HA ' ' A' ' 70' ' ' GLU . 3.7 p -132.66 124.9 51.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.77 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -138.29 123.06 18.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.597 ' HA3' ' CB ' ' A' ' 31' ' ' SER . . . 137.72 -163.62 25.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 1.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -69.43 -53.69 18.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 0.743 . . . . 1.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.648 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -60.62 -21.33 62.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.0 109.251 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 1.054 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.1 pp20? -14.7 -58.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 1.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -61.06 -76.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -46.02 -50.18 15.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 110.331 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.698 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -43.84 -76.32 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 1.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 1.103 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.9 ppp? -50.17 -43.14 52.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 1.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.575 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -41.43 -61.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.805 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -52.13 -61.11 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.739 HG21 HG21 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -44.51 -56.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 1.0 109.273 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.103 HG23 ' O ' ' A' ' 74' ' ' MET . 5.4 t -51.55 -61.68 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.923 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -52.95 -46.93 68.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 1.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.623 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -60.83 -44.85 96.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 1.0 110.402 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.948 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.95 -46.46 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -93.98 -14.37 25.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 1.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.923 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.59 -42.45 20.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 1.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.561 ' CD ' HD11 ' A' ' 21' ' ' LEU . 9.5 mm-40 -90.78 12.08 20.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 110.342 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.479 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 54.93 14.59 5.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 1.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.015 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -73.15 -44.2 60.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 1.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.948 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -134.07 163.76 28.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.783 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 1.0 110.261 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtp . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.479 0.181 . . . . 1.0 111.048 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.482 ' O ' ' O ' ' A' ' 65' ' ' VAL . 7.8 mt-10 -142.02 135.29 29.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 1.0 110.295 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 1.043 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.03 152.91 23.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 1.0 109.258 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.829 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 44.6 tptt -136.17 112.14 9.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 1.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.773 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -81.57 161.66 23.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 1.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.855 ' O ' ' O ' ' A' ' 61' ' ' VAL . 92.7 m-85 -163.79 -177.31 5.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 1.0 111.013 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.957 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -144.54 139.06 27.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 1.0 109.564 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.075 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.1 mm -67.21 123.7 20.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 1.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.749 HG13 ' HD2' ' A' ' 7' ' ' HIS . 15.4 m -117.02 4.92 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 1.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.595 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -86.03 -19.5 30.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 1.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 15.0 pt-20 45.46 17.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 1.0 110.249 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.791 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -77.28 -60.98 2.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 1.0 110.404 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.75 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 141.79 22.96 0.23 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 1.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.868 HG12 HG23 ' A' ' 55' ' ' VAL . 0.7 OUTLIER 33.47 73.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 1.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.822 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.3 p80 -98.09 177.34 5.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 1.0 109.595 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.683 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.98 -35.08 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 1.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.882 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -64.96 -73.69 0.21 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 1.0 110.291 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.882 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.3 Cg_endo -74.97 -30.53 7.11 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 1.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.137 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -57.24 -53.94 52.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 1.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.849 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -71.67 -36.17 70.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 1.0 110.473 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.675 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -40.02 -52.37 2.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 1.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.907 HD23 HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -72.17 -53.34 12.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 1.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.137 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.46 -45.11 81.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 1.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.847 ' N ' ' O ' ' A' ' 20' ' ' THR . 3.9 pt20 -57.97 -37.98 75.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 1.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.765 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -85.57 -27.61 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 1.0 110.365 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.818 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -85.03 -37.52 20.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 1.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.737 ' N ' ' O ' ' A' ' 23' ' ' VAL . 32.6 t -90.49 45.48 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 1.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.777 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.55 20.61 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.824 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.9 m-85 -117.21 142.59 46.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 1.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -70.86 1.26 5.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 4.6 m -105.55 176.53 5.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 1.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.832 ' N ' ' O ' ' A' ' 66' ' ' ASP . 1.0 OUTLIER -93.26 97.15 10.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 1.0 109.25 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.058 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.71 127.04 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 1.0 109.303 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.662 ' O ' HG13 ' A' ' 63' ' ' ILE . 52.7 m-20 -140.61 177.21 8.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.885 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -119.14 143.05 47.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 1.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.921 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -127.81 116.33 20.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 110.298 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 1.276 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.7 t80 -118.75 124.53 47.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.648 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 24.6 mtmt 74.34 -5.48 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 1.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 37' ' ' TYR . . . 122.82 -2.82 10.02 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 1.0 111.03 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.905 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 12.9 tttt -95.49 111.24 23.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 1.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.624 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 1.5 t -104.94 117.99 35.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 1.0 109.952 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.653 HG23 ' HB3' ' A' ' 46' ' ' SER . 1.2 m -147.43 148.09 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 1.02 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.3 m-80 -42.78 87.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 1.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.673 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -19.97 -40.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 1.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.8 ' N ' ' O ' ' A' ' 43' ' ' ASN . 2.2 tptt -70.08 5.96 1.44 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 1.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 1.02 ' N ' ' O ' ' A' ' 43' ' ' ASN . 33.5 t -88.54 73.1 8.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 1.0 110.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -40.03 -59.84 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.592 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -40.07 -66.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 1.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.789 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -59.89 -53.01 49.4 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.511 1.132 . . . . 1.0 110.977 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.9 OUTLIER -56.59 -51.31 67.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 0.761 . . . . 1.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.776 ' N ' ' O ' ' A' ' 47' ' ' ILE . 7.9 mmm -40.83 -57.66 1.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 1.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.406 ' OG ' ' NZ ' ' A' ' 40' ' ' LYS . 6.6 p -59.94 -27.9 67.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 1.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.276 HD22 ' CD2' ' A' ' 37' ' ' TYR . 1.0 OUTLIER -92.16 -88.97 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 1.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.62 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 58.93 145.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.142 . . . . 1.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.016 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -128.18 -171.72 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.783 . . . . 1.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.75 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 161.96 -96.4 0.14 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 1.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.658 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.8 pt20 -39.07 87.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 1.0 110.345 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.84 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 39.96 15.88 0.01 OUTLIER Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.461 1.1 . . . . 1.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.016 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.0 m -55.81 133.96 51.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 0.798 . . . . 1.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.883 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 5.2 p-10 -97.21 147.21 24.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 1.0 109.278 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.866 HG13 HG11 ' A' ' 55' ' ' VAL . 31.2 m -147.18 179.19 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 1.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.921 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -135.6 136.91 41.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 1.0 110.399 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.664 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -109.3 155.98 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 1.058 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -135.26 145.24 47.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 1.0 110.404 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.005 HG22 ' HA ' ' A' ' 70' ' ' GLU . 0.8 OUTLIER -143.51 122.81 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.342 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.832 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.8 129.85 23.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 1.0 109.33 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.573 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 128.31 -153.1 19.37 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 1.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.571 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -74.22 -61.19 1.94 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 0.75 . . . . 1.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.677 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -52.02 -31.12 28.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 1.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 1.005 ' HA ' HG22 ' A' ' 65' ' ' VAL . 3.0 pp20? -9.62 -59.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.806 ' HB2' ' OE2' ' A' ' 70' ' ' GLU . . . -64.21 -68.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 1.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -54.87 -47.09 74.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 1.0 110.292 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.675 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -47.42 -73.08 0.34 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.119 . . . . 1.0 110.954 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.121 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.44 -37.59 70.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 0.78 . . . . 1.0 111.018 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.504 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -44.76 -55.43 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 1.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.743 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -59.82 -59.26 5.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 1.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.664 HG21 HG21 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -45.13 -58.68 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.121 HG23 ' O ' ' A' ' 74' ' ' MET . 6.8 t -49.96 -60.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.903 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -54.3 -48.85 70.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 1.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.646 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -59.68 -46.62 88.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 1.0 110.424 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.99 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -45.36 -48.3 13.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 1.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.749 HE22 HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -94.06 -13.17 27.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 1.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.903 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.82 -38.34 25.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 1.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.533 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 6.8 mm-40 -96.71 13.61 27.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 1.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.517 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 54.29 18.43 9.76 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 1.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.075 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.3 mt -79.04 -39.24 34.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 0.769 . . . . 1.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.99 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -142.5 161.45 38.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 1.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.595 ' HB3' HG11 ' A' ' 9' ' ' VAL . 1.1 pt-20 -92.98 177.82 5.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 1.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.499 0.19 . . . . 1.0 111.04 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.953 ' O ' HG12 ' A' ' 65' ' ' VAL . 9.3 mt-10 -143.83 101.27 3.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 1.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 1.016 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -91.55 150.36 21.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.831 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.9 tptt -141.77 111.55 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 1.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.756 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.2 mp0 -81.23 150.34 28.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 1.0 110.307 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.879 ' HZ ' HG22 ' A' ' 78' ' ' VAL . 27.9 m-85 -150.77 -173.74 4.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 1.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.992 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -149.94 136.79 19.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 1.0 109.599 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.088 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.5 mm -66.63 126.21 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 1.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.785 HG13 ' HD2' ' A' ' 7' ' ' HIS . 16.2 m -121.97 5.27 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.609 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -83.87 -19.6 34.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 1.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.9 pt-20 46.91 16.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 1.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.803 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -77.26 -60.66 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 110.418 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.741 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 139.42 24.17 0.31 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 1.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.865 HG23 ' HA ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER 33.49 75.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 1.0 109.332 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.819 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.3 p80 -99.27 177.03 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.614 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.725 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -39.95 -35.68 0.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 1.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.88 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.16 -73.55 0.21 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 1.0 110.28 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.97 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.96 -30.67 6.98 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.46 1.769 . . . . 1.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.152 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -56.33 -53.96 51.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 1.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.899 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -72.89 -35.1 67.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 1.0 110.399 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.646 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.9 tt -39.81 -51.95 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 1.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.822 HD23 HD13 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -74.05 -53.06 10.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.152 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.45 -43.74 78.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 1.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.853 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.1 pt20 -59.9 -39.24 84.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 1.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.761 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -83.9 -29.79 26.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 1.0 110.406 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.779 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -83.56 -36.65 23.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 1.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.717 ' N ' ' O ' ' A' ' 23' ' ' VAL . 51.6 p -90.47 44.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 1.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.795 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -149.12 22.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 1.0 109.299 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.823 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.6 m-85 -119.18 141.46 48.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 1.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -69.65 0.13 5.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 1.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB3' ' O ' ' A' ' 66' ' ' ASP . 3.5 m -104.62 174.84 5.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 1.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.816 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -92.77 95.89 9.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 1.0 109.323 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.097 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -118.86 123.82 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 1.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.662 ' O ' HG13 ' A' ' 63' ' ' ILE . 3.9 m120 -137.19 178.75 6.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.07 HD11 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -121.7 141.52 51.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 1.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.925 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -123.67 110.34 14.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 1.0 110.312 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.725 ' CE1' ' CG ' ' A' ' 38' ' ' LYS . 4.6 t80 -112.39 113.71 26.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 1.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.725 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 8.8 mtmt 66.67 19.26 10.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.516 1.135 . . . . 1.0 109.257 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.51 -4.85 40.37 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.123 . . . . 1.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.782 ' CE ' ' O ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -86.8 89.37 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 0.726 . . . . 1.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.571 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 4.3 t -97.18 105.82 18.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.883 HG21 ' HA3' ' A' ' 49' ' ' GLY . 1.0 OUTLIER -146.08 150.96 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 1.038 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.7 m-20 -42.02 89.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 1.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.737 ' O ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -21.18 -39.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 1.0 109.246 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.798 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -85.51 22.12 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 1.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 1.038 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.9 t -94.19 105.5 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 1.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.863 HG22 ' N ' ' A' ' 48' ' ' MET . 0.6 OUTLIER -40.31 -88.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.863 ' N ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -39.84 -60.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 1.0 111.014 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.883 ' HA3' HG21 ' A' ' 42' ' ' VAL . . . -48.71 -22.71 2.91 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 1.0 110.986 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.737 HG21 ' O ' ' A' ' 44' ' ' LEU . 2.1 t -99.41 -41.25 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 1.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -40.2 -43.83 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 110.984 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -20.82 25.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 1.0 109.986 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.07 HD11 HD11 ' A' ' 35' ' ' LEU . 5.7 tt -75.18 -108.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 1.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.515 ' N ' ' CD2' ' A' ' 53' ' ' LEU . . . 61.66 117.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.498 1.124 . . . . 1.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.005 HG12 ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -121.07 -172.78 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 0.74 . . . . 1.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.741 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 161.1 -93.02 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 1.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.66 ' O ' ' N ' ' A' ' 59' ' ' SER . 7.6 mt-30 -37.17 84.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 1.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.856 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 39.84 15.69 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 1.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.005 ' CB ' HG12 ' A' ' 55' ' ' VAL . 7.8 m -54.91 133.01 47.91 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 0.744 . . . . 1.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.866 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 4.6 p-10 -97.98 145.58 26.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 1.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.864 ' O ' ' O ' ' A' ' 6' ' ' PHE . 27.2 m -145.78 173.04 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 1.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.925 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.45 129.99 45.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 1.0 110.394 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -102.28 158.14 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 1.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 1.097 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.6 m -140.28 145.56 37.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 1.0 110.432 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.112 HG11 ' HG2' ' A' ' 74' ' ' MET . 2.6 p -142.73 123.22 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 1.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.816 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -137.78 132.48 32.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 1.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.711 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 129.57 -148.73 18.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 1.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.573 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -83.48 -49.66 9.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 1.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.685 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -57.32 -32.11 66.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 1.0 109.244 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.953 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.7 OUTLIER -5.08 -69.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 110.333 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.692 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -56.87 -72.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 1.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -50.49 -47.92 57.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.142 . . . . 1.0 110.342 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.709 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -47.75 -78.81 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.121 . . . . 1.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.148 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -55.23 -34.2 63.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 1.0 110.993 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -46.29 -54.36 9.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.12 . . . . 1.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.759 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -60.92 -56.77 17.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 1.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.72 ' O ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -47.54 -61.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 109.3 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.148 HG23 ' O ' ' A' ' 74' ' ' MET . 5.7 t -45.35 -60.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 1.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.892 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -54.14 -49.69 68.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.57 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.4 OUTLIER -59.01 -47.66 84.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 1.0 110.382 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.012 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -44.25 -46.8 9.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 1.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.704 ' NE2' HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -96.14 -14.33 22.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 110.293 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.892 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.55 -38.83 25.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 109.325 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.527 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 6.3 mm-40 -96.42 14.75 23.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 1.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.479 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 51.53 18.75 3.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 1.0 110.99 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.088 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.4 mt -81.07 -26.45 36.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 0.759 . . . . 1.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.012 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -150.42 171.75 16.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.516 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.6 OUTLIER -104.1 -173.92 2.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 1.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 1.0 110.286 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.498 0.189 . . . . 1.0 110.995 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.927 ' O ' HG12 ' A' ' 65' ' ' VAL . 6.1 mt-10 -141.68 95.22 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 1.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 1.013 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -91.77 151.73 20.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 1.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.824 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 45.7 tptt -143.37 112.66 6.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.754 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.3 mp0 -81.45 161.62 23.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 1.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.824 ' CZ ' ' CG ' ' A' ' 4' ' ' LYS . 91.5 m-85 -163.05 -176.92 5.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 1.0 110.998 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.973 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -144.95 133.35 21.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 1.0 109.634 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.05 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.6 mm -61.46 133.16 27.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 1.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.779 HG13 ' HD2' ' A' ' 7' ' ' HIS . 15.3 m -130.19 13.71 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 1.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.546 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -92.02 -17.68 24.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 1.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.445 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.1 pt-20 46.09 18.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 1.0 110.272 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.853 HG21 ' HG3' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -81.67 -61.02 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 1.0 110.353 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.756 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 137.69 23.36 0.44 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 1.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.761 HG23 ' HA ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER 37.96 72.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 1.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.85 ' CD2' HG23 ' A' ' 12' ' ' THR . 2.1 p80 -97.76 177.79 5.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 1.0 109.647 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.857 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.86 -33.77 0.33 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.146 . . . . 1.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.871 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -66.52 -73.34 0.22 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 1.0 110.278 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.97 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.99 -28.68 8.97 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.523 1.802 . . . . 1.0 111.022 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.043 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -59.23 -50.5 73.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 1.145 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.24 -38.41 66.01 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 1.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.614 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.4 tt -40.22 -55.93 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 1.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.742 HD23 HD13 ' A' ' 86' ' ' LEU . 1.8 pp -69.47 -64.58 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 1.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.145 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 2.7 p -46.53 -51.25 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 1.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.782 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -52.45 -38.64 59.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 110.321 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.749 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -83.97 -29.09 27.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 1.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.814 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.46 -35.09 23.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 1.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.788 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -91.54 44.63 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 1.0 109.983 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.776 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -149.98 23.18 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 1.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.776 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 22.3 m-85 -119.61 138.41 53.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 1.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 m-20 -68.46 -4.78 16.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 1.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 69' ' ' ASP . 4.7 m -97.83 178.14 5.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.949 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.839 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.7 OUTLIER -94.07 94.76 8.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 1.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.052 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -118.18 127.16 75.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 1.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.607 ' O ' HG13 ' A' ' 63' ' ' ILE . 14.7 m-20 -140.11 176.3 8.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 1.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.886 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -119.5 141.26 49.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 1.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.938 ' O ' ' N ' ' A' ' 62' ' ' THR . 43.4 tt0 -127.44 116.28 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 1.0 110.283 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 1.238 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.7 t80 -123.39 123.31 40.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 1.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.701 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 17.4 mtmt 71.69 -0.77 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 1.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.68 -13.78 9.27 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.466 1.104 . . . . 1.0 111.036 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.828 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -82.05 105.4 13.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.775 . . . . 1.0 109.26 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.563 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 13.4 p -108.52 112.23 24.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 1.0 109.974 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.719 HG23 ' HB3' ' A' ' 46' ' ' SER . 2.3 m -145.99 147.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 1.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 1.01 ' O ' ' N ' ' A' ' 45' ' ' LYS . 1.5 m120 -44.38 84.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 1.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.688 ' C ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -11.64 -41.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 1.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.01 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -63.87 -2.22 1.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 1.0 109.317 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.939 ' N ' ' O ' ' A' ' 43' ' ' ASN . 12.9 t -87.97 71.59 9.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 1.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.938 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.1 tp -40.14 -52.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 1.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.475 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -40.58 -76.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 1.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.487 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -55.66 -44.37 86.31 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 1.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.578 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -65.7 -49.47 77.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 1.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.938 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.5 tpp -40.05 -60.11 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 1.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.7 p -62.15 -14.72 40.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 109.96 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.238 HD22 ' CD2' ' A' ' 37' ' ' TYR . 1.1 mt -95.07 -93.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 1.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 58.54 130.64 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 1.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.023 HG12 ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -117.65 -175.03 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 0.782 . . . . 1.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.767 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . 164.43 -92.75 0.11 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.461 1.101 . . . . 1.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.691 ' C ' ' H ' ' A' ' 59' ' ' SER . 3.9 pt20 -35.92 80.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 1.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.973 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 43.58 7.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.538 1.149 . . . . 1.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.023 ' CB ' HG12 ' A' ' 55' ' ' VAL . 8.6 m -42.57 165.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 0.779 . . . . 1.0 109.968 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.86 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 3.6 p-10 -126.72 145.31 50.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.826 HG11 HG21 ' A' ' 55' ' ' VAL . 33.3 m -146.7 177.6 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 1.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.938 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -134.53 129.6 35.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 1.0 110.406 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.74 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -101.43 156.02 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 1.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 1.052 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.8 m -137.1 145.11 43.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 1.0 110.438 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.031 HG11 ' HG2' ' A' ' 74' ' ' MET . 1.6 p -143.78 123.8 8.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 1.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.839 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.42 129.99 24.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 1.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.589 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 130.38 -152.56 19.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 1.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -77.75 -55.17 5.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 1.0 109.275 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.659 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -56.08 -28.94 59.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 1.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.956 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.8 pp20? -12.3 -60.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 1.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.87 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -60.55 -69.39 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 1.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -54.46 -47.48 72.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 1.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.715 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -47.48 -76.24 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.542 1.151 . . . . 1.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.139 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.82 -33.58 66.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.766 . . . . 1.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -47.48 -51.26 20.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.749 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -65.76 -58.47 5.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.74 HG21 HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -46.05 -56.88 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 1.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.139 HG23 ' O ' ' A' ' 74' ' ' MET . 12.5 t -51.33 -60.0 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 1.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.903 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -55.52 -49.96 71.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 1.0 110.256 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.632 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -57.85 -46.51 84.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 1.0 110.423 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.989 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.04 -46.29 33.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 1.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.588 HE22 HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -95.03 -12.51 26.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 1.0 110.297 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.903 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -83.64 -39.9 19.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 1.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.541 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 6.6 mm-40 -96.33 16.66 17.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 1.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.653 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 50.4 18.77 2.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.503 1.127 . . . . 1.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.05 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 2.1 mt -80.07 -23.65 41.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 1.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.989 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -155.39 158.78 39.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 1.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.548 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -95.66 -176.16 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.273 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 1.0 110.254 -179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.809 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 3.4 mtt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.499 0.19 . . . . 1.0 110.98 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' HG12 ' A' ' 65' ' ' VAL . 4.7 mt-10 -130.98 150.5 52.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 1.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.997 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -117.14 160.3 21.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 1.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.858 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 48.4 tptt -145.08 114.73 7.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.713 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.4 mp0 -87.76 148.16 24.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 1.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.858 ' CZ ' ' CG ' ' A' ' 4' ' ' LYS . 55.4 m-85 -147.2 -178.72 6.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 1.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 1.05 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -145.38 132.65 20.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.0 109.618 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.961 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.7 mm -60.82 127.65 20.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 1.0 109.366 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.838 HG13 ' HD2' ' A' ' 7' ' ' HIS . 9.2 m -125.38 8.63 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 1.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 85' ' ' GLY . . . -93.13 -12.79 29.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.492 ' HA ' ' H ' ' A' ' 58' ' ' GLY . 7.8 pt-20 46.69 16.02 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 1.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.928 HG21 ' HG3' ' A' ' 18' ' ' PRO . 0.7 OUTLIER -69.48 -78.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.434 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.799 ' N ' HG22 ' A' ' 12' ' ' THR . . . 154.39 14.44 0.06 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 1.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.796 ' CD1' HD21 ' A' ' 86' ' ' LEU . 0.4 OUTLIER 39.06 68.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 1.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.867 ' O ' ' N ' ' A' ' 19' ' ' ALA . 3.2 p80 -99.09 -179.71 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 1.0 109.62 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.876 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -39.75 -35.78 0.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.849 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -67.62 -71.89 0.29 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 1.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.928 ' HG3' HG21 ' A' ' 12' ' ' THR . 18.4 Cg_endo -75.01 -27.61 9.84 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 1.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.055 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -61.43 -47.3 86.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 1.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 1.134 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -73.5 -39.82 64.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 1.0 110.388 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.616 HD11 ' CD ' ' A' ' 84' ' ' GLU . 2.0 tt -39.82 -57.17 1.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 1.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.67 ' CD2' HD22 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -69.01 -64.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 1.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.134 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 4.8 p -46.76 -52.03 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 1.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.798 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -50.73 -38.71 49.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 110.369 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.797 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -83.84 -28.56 27.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.382 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.803 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.95 -33.43 22.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 1.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.78 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.8 t -91.39 42.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 1.0 110.022 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.802 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.72 23.85 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 1.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.816 ' HD2' HG21 ' A' ' 33' ' ' ILE . 21.7 m-85 -120.34 135.66 54.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.415 1.072 . . . . 1.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -64.65 -7.08 9.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 1.0 109.287 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 1.0 OUTLIER -93.65 175.99 6.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 1.0 110.011 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.873 ' N ' ' O ' ' A' ' 66' ' ' ASP . 8.3 m-20 -94.83 83.58 4.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 1.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.067 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -104.94 128.35 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 1.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.607 ' O ' HG13 ' A' ' 63' ' ' ILE . 13.6 m-20 -138.89 174.89 10.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 1.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.922 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -119.39 141.79 48.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 1.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.996 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -127.12 115.93 19.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 1.0 110.337 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 1.22 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.5 t80 -118.02 127.13 53.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 1.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.866 ' HG2' HD21 ' A' ' 53' ' ' LEU . 0.0 OUTLIER 71.89 2.02 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 1.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.73 -1.59 23.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.434 1.084 . . . . 1.0 111.03 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.996 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 7.3 tttt -95.62 111.29 23.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 1.0 109.361 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.674 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 3.6 p -104.86 115.94 31.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 1.0 109.997 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.64 HG23 ' HB3' ' A' ' 46' ' ' SER . 0.9 OUTLIER -145.13 143.24 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 1.0 109.325 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.963 ' O ' ' N ' ' A' ' 46' ' ' SER . 3.1 m-80 -42.61 88.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 1.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.639 ' HG ' ' N ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -19.18 -38.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 1.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.872 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -64.7 -2.14 2.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 1.0 109.296 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.963 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.6 t -87.87 69.91 9.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 1.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.857 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -41.38 -57.2 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 1.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.559 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -39.94 -69.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 1.0 110.993 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.811 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -56.7 -51.33 57.47 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 1.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -60.93 -47.53 93.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.522 0.777 . . . . 1.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.857 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -41.56 -54.51 3.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 1.0 110.995 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 p -61.88 -22.61 65.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.22 HD22 ' CD2' ' A' ' 37' ' ' TYR . 3.6 mt -92.76 -92.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.408 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 61.18 127.98 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.47 1.106 . . . . 1.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.98 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -112.86 -172.67 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 1.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.734 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 159.82 -90.85 0.11 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.421 1.076 . . . . 1.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.727 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.4 pt20 -42.16 89.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.765 . . . . 1.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.833 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 39.01 13.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.446 1.091 . . . . 1.0 111.031 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.98 ' HB3' HG12 ' A' ' 55' ' ' VAL . 2.1 m -51.55 167.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 1.0 110.012 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.866 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.0 p30 -130.92 146.45 52.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.845 HG13 HG11 ' A' ' 55' ' ' VAL . 33.8 m -148.55 176.83 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.9 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -134.5 133.04 39.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 1.0 110.392 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.855 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -105.82 153.87 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 1.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 1.067 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.6 m -137.56 152.56 49.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 1.0 110.414 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.036 HG11 ' HG2' ' A' ' 74' ' ' MET . 4.4 p -146.24 114.06 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 1.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.873 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -132.09 124.49 29.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.427 1.079 . . . . 1.0 109.336 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.701 ' O ' ' CD ' ' A' ' 70' ' ' GLU . . . 141.55 -130.14 4.28 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.517 1.135 . . . . 1.0 111.01 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.466 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . -98.85 -66.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 1.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.676 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -40.77 -30.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 1.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.788 ' HA ' HG22 ' A' ' 65' ' ' VAL . 20.6 mt-10 6.89 -80.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 1.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.672 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -55.93 -68.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 1.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -46.44 -51.78 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 1.0 110.282 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.755 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -49.18 -78.19 0.1 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 1.0 111.034 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.17 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -55.44 -33.13 63.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 1.0 111.038 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -46.84 -57.77 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 1.0 109.258 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.808 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -58.07 -57.84 11.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.855 HG21 HG21 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.73 -59.04 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 1.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.17 HG23 ' O ' ' A' ' 74' ' ' MET . 12.5 t -49.07 -60.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 1.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.999 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -53.68 -43.47 68.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 1.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.535 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -64.92 -50.72 65.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 1.0 110.414 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.902 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -42.05 -45.3 3.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 1.0 109.303 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.578 ' NE2' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -95.89 -15.84 22.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 1.0 110.291 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.999 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -79.31 -36.88 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 1.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.616 ' CD ' HD11 ' A' ' 21' ' ' LEU . 8.1 mm-40 -97.8 15.6 23.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 1.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.54 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 48.95 22.56 3.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.441 1.088 . . . . 1.0 111.002 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.961 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -91.88 -2.56 56.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 1.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.05 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -169.14 160.68 9.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.821 ' HG2' HG11 ' A' ' 9' ' ' VAL . 4.7 mt-10 -85.0 -77.25 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 1.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.421 ' C ' ' CD2' ' A' ' 6' ' ' PHE . 18.7 mt-30 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 1.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.456 ' HG3' ' HB2' ' A' ' 66' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.543 0.211 . . . . 1.0 110.971 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 1.008 ' O ' HG12 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -106.93 84.49 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 1.0 110.312 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.99 ' CB ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -86.93 152.83 22.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 1.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.812 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 40.1 tptt -143.74 110.85 5.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 1.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.78 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.6 mp0 -83.7 143.98 29.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 1.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.943 ' O ' ' O ' ' A' ' 61' ' ' VAL . 24.4 m-85 -149.1 178.99 8.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.919 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -140.03 139.85 36.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 1.0 109.614 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.106 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.5 mm -65.82 127.27 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.8 HG13 ' HD2' ' A' ' 7' ' ' HIS . 14.0 m -123.74 8.56 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 1.0 109.269 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.522 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -97.16 -14.83 21.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 1.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 56' ' ' GLY . 9.2 pt-20 45.05 16.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.43 1.081 . . . . 1.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.846 ' HG1' ' HE2' ' A' ' 15' ' ' HIS . 7.7 t -65.39 -57.46 8.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 1.0 110.418 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.79 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 134.39 9.75 1.79 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 1.0 110.955 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.737 HD12 HD21 ' A' ' 86' ' ' LEU . 0.2 OUTLIER 47.47 64.82 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 1.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.885 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.8 p80 -98.2 179.2 4.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 1.0 109.603 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.849 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.77 -35.32 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 1.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.831 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -67.55 -71.44 0.32 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 1.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.885 ' HD3' ' CE1' ' A' ' 15' ' ' HIS . 18.2 Cg_endo -75.06 -28.2 9.27 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.49 1.784 . . . . 1.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.057 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -61.39 -49.55 76.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 1.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 1.132 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -71.87 -39.71 69.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 1.0 110.389 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.607 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.2 tt -39.8 -58.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 1.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.894 HD23 HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -68.01 -64.88 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 1.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.132 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 4.6 p -46.33 -52.85 3.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 1.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.794 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.7 pt20 -50.25 -38.18 39.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.735 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.71 -29.95 25.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 1.0 110.39 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.779 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -82.42 -34.22 28.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.09 . . . . 1.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.755 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.3 t -92.19 49.32 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 1.0 110.013 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.756 ' CD ' ' CE1' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -155.35 24.05 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.783 ' HZ ' ' HB3' ' A' ' 76' ' ' ALA . 22.6 m-85 -121.06 139.02 53.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 1.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -70.24 -1.46 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 1.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.483 ' HG ' ' H ' ' A' ' 70' ' ' GLU . 2.3 m -101.14 176.64 5.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 1.0 109.979 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.881 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -92.6 94.93 9.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 1.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.084 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -117.75 126.6 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 1.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.668 ' O ' HG13 ' A' ' 63' ' ' ILE . 25.4 m-20 -138.27 176.89 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 1.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.877 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -122.02 138.34 54.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 1.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.879 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -121.21 120.86 36.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 1.0 110.295 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.771 ' HB3' HD23 ' A' ' 53' ' ' LEU . 2.1 t80 -128.14 128.6 45.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 1.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.584 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 14.4 mtmm 73.38 -7.03 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 1.0 109.282 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 37' ' ' TYR . . . 121.42 4.0 10.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 1.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 1.034 ' HZ3' HD13 ' A' ' 53' ' ' LEU . 2.0 ttpt -103.76 113.85 27.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 1.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.615 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 4.9 p -108.22 114.14 27.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 1.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 46' ' ' SER . 1.0 OUTLIER -144.33 148.78 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.951 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.9 m-80 -43.93 88.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.624 ' C ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -19.15 -38.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 1.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.881 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -64.55 -2.23 2.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 1.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.951 ' N ' ' O ' ' A' ' 43' ' ' ASN . 6.3 t -87.19 73.01 9.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 1.0 110.004 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.846 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -39.85 -58.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 109.3 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.628 ' HE2' ' H ' ' A' ' 49' ' ' GLY . 0.0 OUTLIER -40.15 -69.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 1.0 111.034 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.888 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -56.67 -50.16 65.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.539 1.149 . . . . 1.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.567 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -60.83 -49.47 84.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.522 0.778 . . . . 1.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.846 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.2 mmm -40.46 -55.99 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 1.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 p -59.57 -24.18 63.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 1.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.034 HD13 ' HZ3' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -90.81 -90.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 1.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 53.85 116.56 0.01 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 1.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.028 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -102.67 -173.29 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.536 0.786 . . . . 1.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.79 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 164.26 -96.98 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 1.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.699 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.9 mt-30 -35.97 86.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 1.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.835 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 37.7 17.39 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 1.0 111.058 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.028 ' HB3' HG12 ' A' ' 55' ' ' VAL . 10.3 m -52.87 172.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 0.771 . . . . 1.0 110.0 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.801 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.2 p30 -133.52 147.5 51.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 1.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.943 ' O ' ' O ' ' A' ' 6' ' ' PHE . 29.8 m -149.66 178.72 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 1.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.876 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -135.37 126.61 28.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 1.0 110.409 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.726 HG12 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -98.37 158.26 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 1.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 1.084 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 2.3 m -140.66 145.44 36.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 1.0 110.374 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.063 HG11 ' HG2' ' A' ' 74' ' ' MET . 2.1 p -144.63 125.34 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 1.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.881 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -140.49 138.97 35.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 1.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.653 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 123.95 -144.21 15.33 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 1.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.625 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -88.63 -50.73 6.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 1.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.663 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -55.48 -32.72 63.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 1.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.919 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -5.57 -70.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 1.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.626 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -53.01 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 1.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -50.08 -48.38 53.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 1.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.749 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -46.54 -79.66 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 1.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.179 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -55.68 -33.31 64.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 1.0 110.982 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -45.97 -53.87 9.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 1.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.783 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -63.7 -57.52 9.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 1.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.726 HG21 HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -47.08 -56.17 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.179 HG23 ' O ' ' A' ' 74' ' ' MET . 8.0 t -53.07 -60.24 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.937 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -54.38 -48.01 72.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 1.0 110.328 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.71 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -60.06 -49.38 77.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 1.0 110.41 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.036 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -44.61 -46.8 10.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.522 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -94.52 -14.0 25.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 1.0 110.348 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.937 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.54 -39.91 23.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 1.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.54 ' HG3' ' CD2' ' A' ' 21' ' ' LEU . 9.4 mm-40 -94.62 10.37 35.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 1.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.716 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 58.91 8.36 5.75 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 1.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.106 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 2.1 mt -68.69 -35.26 76.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 1.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.036 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -145.55 177.25 9.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.794 ' HG2' HG11 ' A' ' 9' ' ' VAL . 21.7 mt-10 -83.21 -177.03 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 1.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.446 ' O ' ' CG ' ' A' ' 89' ' ' GLN . 6.5 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 1.0 110.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 1.143 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 3.0 mtp . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.506 0.193 . . . . 1.0 111.021 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -150.01 168.06 24.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 1.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 1.067 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.0 132.56 54.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.83 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 41.4 tptt -114.59 111.12 20.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.757 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 5.3 mp0 -82.8 155.58 24.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 1.0 110.352 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.86 ' CZ ' HG13 ' A' ' 78' ' ' VAL . 86.2 m-85 -158.07 -177.0 6.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 1.0 110.998 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.977 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -142.01 134.91 28.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.569 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.996 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -62.76 126.84 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 1.0 109.295 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.771 HG13 ' HD2' ' A' ' 7' ' ' HIS . 13.6 m -121.94 4.81 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 1.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 85' ' ' GLY . . . -81.56 -19.18 42.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 1.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.2 pt-20 46.01 18.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 1.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.841 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -81.46 -63.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 1.0 110.43 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.768 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 143.58 20.98 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 1.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.807 HG23 ' HA ' ' A' ' 19' ' ' ALA . 0.5 OUTLIER 35.08 72.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 1.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.841 ' CD2' HG23 ' A' ' 12' ' ' THR . 2.5 p80 -98.11 178.02 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.08 . . . . 1.0 109.555 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.72 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.07 -34.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 1.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.872 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -66.11 -73.02 0.23 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 1.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.904 ' HB2' HD21 ' A' ' 86' ' ' LEU . 18.1 Cg_endo -75.06 -30.15 7.38 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.445 1.761 . . . . 1.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.148 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -57.36 -54.57 45.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 1.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.822 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -71.59 -35.57 70.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 1.0 110.433 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.009 HD22 HD12 ' A' ' 86' ' ' LEU . 3.4 tt -39.76 -53.14 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 1.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.925 HD23 HD13 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -72.11 -53.98 11.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 1.0 109.263 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.148 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -54.54 -46.74 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 1.0 109.303 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.822 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.1 pt20 -56.67 -37.72 71.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 1.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.787 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -84.12 -26.1 29.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 1.0 110.432 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.767 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -84.9 -37.54 20.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 1.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.623 ' N ' ' O ' ' A' ' 23' ' ' VAL . 6.3 t -91.86 44.52 1.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.762 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -147.33 22.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 1.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.793 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.1 m-85 -116.91 130.84 56.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 1.0 110.962 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -52.33 -16.0 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 1.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.616 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . 28.7 p -103.92 -176.96 3.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 1.0 110.008 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.702 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -87.18 155.78 19.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 1.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.018 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER 179.86 119.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 1.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.551 ' O ' HG13 ' A' ' 63' ' ' ILE . 24.0 m-20 -134.79 178.36 7.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 1.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.875 HD12 ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -117.28 147.32 42.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 1.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.93 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -130.16 114.17 15.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 1.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 1.28 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.4 t80 -117.12 125.5 51.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 1.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.679 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 19.6 mtmt 72.39 0.48 3.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 1.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.414 ' HA2' ' CD ' ' A' ' 36' ' ' GLU . . . 115.85 -3.33 21.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 1.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.927 ' HB3' HD11 ' A' ' 53' ' ' LEU . 14.5 tttt -94.87 108.45 20.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 1.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.62 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 5.6 p -101.98 117.54 35.03 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 1.0 110.021 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.614 ' O ' ' N ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -146.72 149.0 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 1.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 1.013 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.2 m-20 -44.77 87.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 1.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.667 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -21.02 -39.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 1.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.802 ' N ' ' O ' ' A' ' 43' ' ' ASN . 4.9 tttp -71.32 6.45 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 1.013 ' N ' ' O ' ' A' ' 43' ' ' ASN . 8.4 t -90.24 83.97 6.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 1.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.838 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -39.91 -70.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.75 ' N ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -46.09 -58.74 3.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 1.0 110.99 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.802 ' O ' ' CE ' ' A' ' 40' ' ' LYS . . . -59.76 -10.57 13.48 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 1.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.56 ' HB ' ' O ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -110.48 -43.08 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 1.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.838 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.7 tpp -46.5 -47.24 19.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 1.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.466 ' OG ' ' NZ ' ' A' ' 40' ' ' LYS . 5.3 p -69.73 -27.07 64.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 1.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.28 HD22 ' CD2' ' A' ' 37' ' ' TYR . 1.2 mt -94.05 -89.59 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 1.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.532 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 58.27 141.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 1.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.044 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -127.37 -172.42 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 1.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.768 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 159.28 -87.72 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 1.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.642 ' O ' ' CG ' ' A' ' 57' ' ' GLN . 4.9 pt20 -43.92 82.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 1.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.895 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 43.77 12.11 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 1.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.044 ' HB3' HG12 ' A' ' 55' ' ' VAL . 7.8 m -52.9 136.5 34.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.791 . . . . 1.0 110.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.91 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 7.4 p-10 -98.99 145.58 26.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.858 ' O ' ' O ' ' A' ' 6' ' ' PHE . 28.1 m -146.38 175.53 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 1.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.93 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -130.58 137.83 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 1.0 110.394 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.657 HG12 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -109.94 150.66 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 1.0 109.326 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 1.067 HG23 ' HB2' ' A' ' 3' ' ' LYS . 0.5 OUTLIER -132.66 144.27 50.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 1.0 110.412 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.004 HG11 ' HG2' ' A' ' 74' ' ' MET . 4.4 p -139.97 128.81 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 1.0 109.292 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 1.143 ' HA ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -144.67 122.05 11.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 1.0 109.334 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.616 ' HA3' ' CB ' ' A' ' 31' ' ' SER . . . 140.96 -163.96 26.53 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.544 1.153 . . . . 1.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.1 -51.83 28.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 1.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.652 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -62.37 -22.39 66.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.162 . . . . 1.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.998 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.8 pp20? -14.28 -58.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 1.0 110.28 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.708 ' HB2' ' OE2' ' A' ' 70' ' ' GLU . . . -60.65 -72.43 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 1.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.481 ' HG3' ' HA ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -52.1 -46.32 65.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 1.0 110.318 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.726 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -46.75 -77.1 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 1.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.155 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -55.05 -37.06 66.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 1.0 110.971 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -45.21 -54.24 7.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 1.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.765 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -60.33 -59.48 5.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.657 HG21 HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -45.54 -56.3 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 1.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.155 HG23 ' O ' ' A' ' 74' ' ' MET . 6.5 t -51.87 -60.94 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 1.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.932 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -54.56 -46.31 73.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.638 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -61.77 -43.5 98.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 1.0 110.362 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.016 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.2 -47.33 35.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 1.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.725 HE22 HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -94.15 -14.52 25.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 1.0 110.271 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.932 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -82.42 -42.87 18.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 1.0 109.252 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.931 ' HG3' HD21 ' A' ' 21' ' ' LEU . 3.1 mm-40 -92.75 14.24 17.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.66 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 50.95 29.74 20.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.511 1.132 . . . . 1.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.009 HD12 HD22 ' A' ' 21' ' ' LEU . 6.0 mt -93.27 -17.86 23.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 1.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.016 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -162.56 158.75 23.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 1.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.43 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.9 OUTLIER -89.38 -176.16 4.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.112 . . . . 1.0 110.293 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 1.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.72 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.541 0.21 . . . . 1.0 111.039 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.433 ' O ' HG12 ' A' ' 65' ' ' VAL . 20.3 mt-10 -143.95 159.42 42.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 1.012 ' CB ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.47 159.62 25.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 1.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.813 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 49.4 tptt -144.87 115.65 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 1.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.698 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.9 mp0 -86.93 155.66 20.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 1.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.843 ' O ' ' O ' ' A' ' 61' ' ' VAL . 45.9 m-85 -154.52 -177.24 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 1.104 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -148.56 135.13 19.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 1.0 109.638 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.119 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.6 mm -62.84 124.35 17.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 1.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.804 HG13 ' HD2' ' A' ' 7' ' ' HIS . 16.2 m -122.57 1.68 6.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 1.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.508 ' C ' ' N ' ' A' ' 12' ' ' THR . . . -84.92 -11.93 54.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.8 pt-20 45.71 16.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 110.346 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.905 HG21 ' HG3' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -68.96 -77.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 1.0 110.425 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.753 ' N ' HG22 ' A' ' 12' ' ' THR . . . 158.16 2.8 0.08 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.508 1.13 . . . . 1.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.746 HG12 HG23 ' A' ' 55' ' ' VAL . 0.2 OUTLIER 50.95 67.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.548 0.793 . . . . 1.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.848 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.2 p80 -99.33 -179.56 4.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 1.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.811 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.44 -36.11 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 1.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.861 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.92 -72.49 0.27 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 1.0 110.318 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.905 ' HG3' HG21 ' A' ' 12' ' ' THR . 18.3 Cg_endo -75.02 -29.84 7.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 1.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.147 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -58.35 -52.67 64.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 1.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.895 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -71.79 -35.93 70.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 1.0 110.382 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.647 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.9 tt -39.92 -52.01 2.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 1.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.628 HD23 ' O ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -72.99 -51.82 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.147 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.98 -45.42 83.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 1.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.826 ' N ' ' O ' ' A' ' 20' ' ' THR . 4.5 pt20 -56.9 -39.43 74.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 1.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.811 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -85.45 -29.75 24.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 110.44 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.801 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -85.81 -30.7 22.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 1.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.815 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -93.32 39.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 1.0 109.984 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.796 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -145.56 24.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 1.0 109.31 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.821 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.1 m-85 -122.02 134.61 54.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -63.67 -4.52 3.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 1.0 109.268 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 1.1 m -94.41 176.69 6.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 1.0 109.976 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.699 ' N ' ' O ' ' A' ' 66' ' ' ASP . 98.1 m-20 -97.35 78.52 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.115 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -99.64 128.37 51.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 1.0 109.252 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.532 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 26.6 m-20 -140.04 175.48 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 1.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.864 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.63 140.5 49.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 1.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.951 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -124.85 113.1 17.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 1.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 1.248 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.2 t80 -115.45 122.54 46.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 1.0 110.963 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.719 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 1.6 mtmm 72.76 0.67 3.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 1.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.45 -0.54 18.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 1.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.951 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -95.72 106.11 18.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.754 . . . . 1.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.653 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 1.7 p -102.09 113.37 26.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 1.0 109.95 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.844 HG13 ' HD3' ' A' ' 40' ' ' LYS . 4.7 m -144.56 144.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 1.001 ' O ' ' N ' ' A' ' 46' ' ' SER . 5.0 m-20 -40.62 86.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 1.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.673 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -16.49 -41.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.882 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -66.98 2.42 1.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 1.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 1.001 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.9 t -88.25 68.93 9.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 1.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.842 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -40.06 -52.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 1.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.481 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 14.5 ttp -40.67 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 1.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.581 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -55.82 -48.15 74.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.137 . . . . 1.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.1 t -60.24 -51.21 75.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 0.754 . . . . 1.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.842 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -41.84 -53.24 3.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 1.0 111.019 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.1 p -59.84 -24.11 63.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 1.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.248 HD22 ' CD2' ' A' ' 37' ' ' TYR . 2.0 mt -95.08 -89.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 1.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 66.82 121.71 0.02 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.467 1.105 . . . . 1.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.014 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -107.84 -174.78 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 1.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.75 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 157.98 -87.84 0.12 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 1.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.634 ' O ' ' N ' ' A' ' 59' ' ' SER . 12.7 mt-30 -43.36 84.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 1.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.886 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 43.08 11.72 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.567 1.167 . . . . 1.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.014 ' HB3' HG12 ' A' ' 55' ' ' VAL . 2.2 m -47.87 165.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 1.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.853 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 7.8 p-10 -130.38 146.37 51.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 1.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.843 ' O ' ' O ' ' A' ' 6' ' ' PHE . 35.3 m -148.31 173.16 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 1.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.839 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.62 133.76 47.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 1.0 110.367 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.772 HG12 HG21 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -104.6 151.92 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 1.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 1.115 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.8 m -139.13 152.18 47.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 1.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.908 HG11 ' HG2' ' A' ' 74' ' ' MET . 10.0 p -144.78 107.81 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 1.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.72 ' HA ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -124.81 114.3 19.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.657 ' O ' ' CG ' ' A' ' 70' ' ' GLU . . . 152.1 -131.78 3.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.478 1.111 . . . . 1.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -97.09 -66.32 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 1.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.658 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -39.03 -28.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.104 . . . . 1.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 1.168 ' O ' ' HG3' ' A' ' 74' ' ' MET . 4.4 mt-10 9.92 -84.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 1.0 110.348 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.547 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -54.77 -74.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 1.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -38.97 -53.37 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 1.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.757 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -48.08 -80.01 0.06 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 1.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.178 ' O ' HG23 ' A' ' 78' ' ' VAL . 2.2 ppp? -51.7 -39.62 58.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 1.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.62 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -42.46 -65.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.795 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -49.42 -59.16 3.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 1.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.772 HG21 HG12 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -45.73 -56.81 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 1.0 109.318 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.178 HG23 ' O ' ' A' ' 74' ' ' MET . 5.7 t -49.97 -60.79 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 1.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.993 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.25 -42.6 66.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 1.0 110.273 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.508 HG22 HD23 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -65.86 -51.47 58.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 1.0 110.41 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.898 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -43.55 -42.65 5.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 1.0 109.353 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -95.41 -16.93 21.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 1.0 110.285 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.993 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -80.63 -40.61 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 1.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.576 ' CD ' HD11 ' A' ' 21' ' ' LEU . 12.7 mm-40 -89.61 7.96 33.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 1.0 110.25 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.743 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 54.26 13.27 3.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.517 1.135 . . . . 1.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.119 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 2.7 tt -83.17 -6.84 59.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.104 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -161.17 158.17 27.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 1.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -90.52 -174.74 4.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 1.0 110.288 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.413 ' HA ' ' OE1' ' A' ' 82' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 1.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.838 ' H1 ' ' HB3' ' A' ' 70' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.539 0.209 . . . . 1.0 111.04 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' VAL . 6.1 mt-10 -152.44 -142.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 1.0 110.301 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 1.041 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -134.46 144.41 48.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 1.0 109.307 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.831 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 43.1 tptt -127.51 111.39 13.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 1.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.787 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 2.1 mp0 -80.87 161.36 24.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 1.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.967 ' CE1' HG13 ' A' ' 78' ' ' VAL . 88.9 m-85 -164.51 -174.71 3.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 1.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.897 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -147.08 141.45 26.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.17 . . . . 1.0 109.597 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.0 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -70.11 128.26 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.745 HG13 ' HD2' ' A' ' 7' ' ' HIS . 16.1 m -121.8 4.53 6.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 1.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.582 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -87.17 -19.21 28.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 1.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.474 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.6 pt-20 45.77 17.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 1.0 110.247 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.679 HG21 ' HG3' ' A' ' 18' ' ' PRO . 3.9 t -75.59 -57.19 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 1.0 110.363 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.766 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 136.53 18.41 0.71 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 1.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.843 HG12 HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 40.58 73.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.77 . . . . 1.0 109.275 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.881 ' HD1' ' HB2' ' A' ' 17' ' ' ARG . 2.3 p80 -97.29 176.2 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 1.0 109.628 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.76 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.41 -35.3 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.881 ' HB2' ' HD1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -65.52 -72.79 0.25 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 110.321 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.867 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.01 -30.34 7.24 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 1.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.124 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -57.53 -53.95 52.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 1.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.834 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -72.53 -33.31 66.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 1.0 110.392 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.648 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -42.34 -51.21 4.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 1.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.89 HD23 HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -73.12 -51.56 17.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 1.0 109.317 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.124 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -57.61 -45.42 86.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 1.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.834 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.0 pt20 -56.94 -40.0 75.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 1.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.816 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -83.93 -24.28 30.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 1.0 110.431 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.811 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -87.52 -33.51 18.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 1.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.732 ' N ' ' O ' ' A' ' 23' ' ' VAL . 5.5 t -93.43 39.18 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 1.0 109.972 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.761 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -143.96 25.41 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 1.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.816 ' CZ ' ' O ' ' A' ' 25' ' ' THR . 22.2 m-85 -118.27 128.2 54.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 1.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -54.01 -14.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 1.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.604 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . 66.5 p -104.81 -175.46 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 1.0 110.016 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.623 ' O ' ' HA ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -86.44 154.36 21.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 1.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.144 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -179.05 116.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 1.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.642 ' O ' HG13 ' A' ' 63' ' ' ILE . 39.1 m-20 -134.7 178.52 6.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 1.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.883 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.77 143.12 47.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 1.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.938 ' N ' ' O ' ' A' ' 62' ' ' THR . 54.2 tt0 -128.51 111.56 13.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 1.0 110.232 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 1.007 ' CD2' HG13 ' A' ' 55' ' ' VAL . 1.9 t80 -116.83 120.69 39.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 1.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.728 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 3.5 mtmt 70.63 1.56 3.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 1.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 121.59 -14.93 9.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 1.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.864 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -79.55 102.75 9.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 0.756 . . . . 1.0 109.273 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.587 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 5.4 t -108.22 110.72 22.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.611 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -147.65 154.9 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 1.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 1.031 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -46.16 86.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 1.0 109.283 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.76 ' O ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -18.39 -38.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 1.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.879 ' N ' ' O ' ' A' ' 43' ' ' ASN . 8.1 tmtt? -74.33 8.73 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 1.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 1.031 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.3 OUTLIER -89.7 80.84 6.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 1.0 110.007 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.876 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.6 OUTLIER -40.14 -62.11 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 109.296 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.622 ' N ' HG22 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -40.0 -71.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 110.965 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.507 ' O ' ' HB2' ' A' ' 53' ' ' LEU . . . -54.17 -50.91 53.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 1.0 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.76 HG21 ' O ' ' A' ' 44' ' ' LEU . 2.4 t -61.79 -51.31 74.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 1.0 109.253 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.876 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.1 mmm -36.42 -62.92 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 1.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.4 p -67.07 -21.82 65.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 1.0 109.962 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.887 HD22 ' CD2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -92.75 -97.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 1.0 109.329 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.495 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 57.13 159.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 1.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.018 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -135.92 -169.7 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 0.784 . . . . 1.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.766 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 163.71 -100.75 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 1.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.746 ' O ' ' N ' ' A' ' 59' ' ' SER . 4.8 pt20 -36.72 90.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 1.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.828 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 36.31 17.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.496 1.122 . . . . 1.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.018 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.8 m -56.51 132.85 52.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 0.782 . . . . 1.0 110.0 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.873 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 3.5 p-10 -96.96 145.86 25.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 1.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.86 HG13 HG11 ' A' ' 55' ' ' VAL . 26.2 m -146.96 177.74 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 1.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.938 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -133.26 132.66 41.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 1.0 110.387 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.664 HG21 HG21 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -104.54 157.47 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 1.144 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.1 m -136.62 140.95 43.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 1.0 110.388 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.92 HG22 ' HA ' ' A' ' 70' ' ' GLU . 4.9 p -140.54 125.04 18.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 1.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -146.39 124.09 11.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 1.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.717 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 143.59 -149.7 21.66 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.443 1.09 . . . . 1.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.516 ' N ' ' HB3' ' A' ' 31' ' ' SER . . . -81.34 -48.66 11.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 0.794 . . . . 1.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.689 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -63.13 -25.64 68.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 1.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 1.066 ' O ' ' HG3' ' A' ' 74' ' ' MET . 0.4 OUTLIER -4.93 -71.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 110.33 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -56.38 -75.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 1.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.3 OUTLIER -45.35 -48.67 13.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 1.0 110.296 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.693 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -46.42 -80.51 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 1.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.066 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 2.2 ppp? -50.27 -42.62 52.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 0.79 . . . . 1.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.601 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -40.29 -57.98 1.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.784 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -56.8 -60.77 3.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 1.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.664 HG21 HG21 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -44.6 -59.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 1.0 109.325 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 74' ' ' MET . 4.2 t -49.78 -60.47 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 1.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.928 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.3 OUTLIER -53.58 -49.65 67.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 1.0 110.243 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.672 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -59.1 -44.37 91.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 1.0 110.397 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.979 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -47.47 -49.72 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 1.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.787 HE22 HG12 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -92.57 -13.97 28.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 1.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.928 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -80.76 -39.48 26.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 80' ' ' THR . 5.4 mm-40 -95.98 12.9 28.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 1.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 56.9 13.5 8.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.129 . . . . 1.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.0 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 3.0 mt -73.15 -42.12 63.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 1.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.979 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -142.02 163.7 32.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.634 ' HB3' HG11 ' A' ' 9' ' ' VAL . 1.0 OUTLIER -96.23 175.35 6.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 1.0 110.281 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.428 ' N ' ' HG2' ' A' ' 82' ' ' GLN . 2.0 tt0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 110.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 1.088 ' H2 ' ' HA ' ' A' ' 66' ' ' ASP . 3.5 mmt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.502 0.192 . . . . 1.0 110.957 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.757 ' O ' HG12 ' A' ' 65' ' ' VAL . 5.4 mt-10 -112.79 129.34 56.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 1.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.962 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -111.67 150.46 30.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 1.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.808 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 37.0 tptt -141.38 113.97 8.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 1.0 109.237 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 1.2 mp0 -84.43 154.33 22.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 1.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.954 ' O ' ' O ' ' A' ' 61' ' ' VAL . 66.1 m-85 -160.04 -177.69 6.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 1.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 1.031 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -143.41 138.33 29.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 1.0 109.566 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.831 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.7 mm -64.69 121.88 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.752 HG13 ' HD2' ' A' ' 7' ' ' HIS . 15.4 m -116.56 4.02 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 1.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.537 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . . . -81.43 -19.16 43.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 1.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.443 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 13.8 pt-20 45.48 18.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 1.0 110.321 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.897 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -80.63 -63.69 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.0 110.37 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.795 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 142.77 21.25 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 1.0 111.017 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.761 HG12 HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 35.94 71.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 1.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.897 ' CD2' HG23 ' A' ' 12' ' ' THR . 2.6 p80 -98.1 178.94 4.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 1.0 109.601 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.888 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.15 -34.0 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 1.0 109.336 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.865 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -67.22 -73.01 0.23 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 1.0 110.335 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.95 ' CB ' HD11 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.04 -27.49 9.91 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.494 1.786 . . . . 1.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.053 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -60.77 -48.83 80.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 1.139 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.31 -39.75 65.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 1.0 110.395 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.606 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -40.17 -57.18 1.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 1.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.818 HD23 HD13 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -67.82 -65.07 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 1.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.139 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 3.0 p -45.67 -53.17 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 1.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.759 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -50.76 -37.62 43.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 110.334 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.774 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.8 OUTLIER -84.05 -25.66 29.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 110.416 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.755 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -85.71 -36.19 20.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.699 ' N ' ' O ' ' A' ' 23' ' ' VAL . 8.8 p -93.51 45.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 1.0 110.045 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.754 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -147.98 23.94 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.803 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.4 m-85 -117.62 135.92 53.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 1.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -59.24 -12.08 4.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 1.0 109.308 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.68 ' HB2' ' HA3' ' A' ' 67' ' ' GLY . 89.7 p -108.23 -176.16 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 1.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.803 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -87.76 154.91 20.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 1.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.02 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -176.97 115.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 109.278 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.696 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -128.91 179.16 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 1.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.908 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -119.83 142.0 49.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.838 ' O ' ' N ' ' A' ' 62' ' ' THR . 11.0 tm-20 -123.02 113.11 18.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 1.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.865 ' HB2' HG12 ' A' ' 61' ' ' VAL . 5.8 t80 -111.07 171.06 7.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 1.0 110.98 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.608 ' N ' ' CG ' ' A' ' 37' ' ' TYR . 19.4 mtpt -57.19 55.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 1.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.809 ' N ' ' O ' ' A' ' 37' ' ' TYR . . . -166.31 -43.23 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.563 1.164 . . . . 1.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.934 ' HE2' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER 172.25 -176.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 1.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.592 ' HB3' ' CG ' ' A' ' 36' ' ' GLU . 10.1 p -129.42 124.27 33.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 1.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.772 ' O ' ' N ' ' A' ' 44' ' ' LEU . 4.5 m -145.94 152.12 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 1.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 1.196 ' O ' ' N ' ' A' ' 45' ' ' LYS . 3.2 m120 -47.61 75.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 1.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.772 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -0.12 -45.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 1.0 109.293 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.196 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.1 OUTLIER -68.57 2.97 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 109.286 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.844 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.3 t -87.27 83.31 7.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 1.0 109.972 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.824 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -40.2 -58.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 1.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.577 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -39.88 -74.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 1.0 110.976 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.622 ' HA3' HG21 ' A' ' 42' ' ' VAL . . . -54.28 -43.91 75.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 1.0 110.981 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.664 HG21 ' O ' ' A' ' 44' ' ' LEU . 1.2 t -63.02 -49.76 82.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.492 0.76 . . . . 1.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.824 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -42.06 -59.25 1.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 110.996 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.24 -11.43 60.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 1.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.934 HD12 ' HE2' ' A' ' 40' ' ' LYS . 5.0 tt -92.2 -94.94 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 1.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.547 ' N ' ' CD2' ' A' ' 53' ' ' LEU . . . 58.42 127.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 1.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.07 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -125.4 -175.22 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 0.762 . . . . 1.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.795 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 157.86 -83.9 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 1.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.662 ' O ' ' CG ' ' A' ' 57' ' ' GLN . 5.2 pt20 -46.36 81.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 0.782 . . . . 1.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.961 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 46.08 9.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 1.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.07 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.7 m -49.2 132.21 19.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 1.0 110.016 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.858 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 13.6 p-10 -96.43 147.76 23.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 1.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.954 ' O ' ' O ' ' A' ' 6' ' ' PHE . 34.9 m -149.71 174.02 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 1.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.838 ' N ' ' O ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -132.49 123.13 26.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 1.0 110.358 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.846 HG12 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -95.37 144.13 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 1.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 1.02 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.7 m -130.0 140.23 50.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.098 HG11 ' HG2' ' A' ' 74' ' ' MET . 6.6 p -130.29 112.11 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 1.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 1.088 ' HA ' ' H2 ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -121.09 123.92 43.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.68 ' HA3' ' HB2' ' A' ' 31' ' ' SER . . . 130.53 -163.96 23.1 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 1.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' GLU . . . -66.02 -65.02 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 1.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.688 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -39.36 -29.65 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.84 ' HA ' HG22 ' A' ' 65' ' ' VAL . 8.3 mt-10 -3.0 -73.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 1.0 110.335 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.768 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -55.69 -72.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 1.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.525 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -47.86 -49.95 27.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 1.0 110.286 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.72 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -46.24 -79.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.541 1.151 . . . . 1.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.111 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -55.16 -32.53 62.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.769 . . . . 1.0 111.012 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -47.12 -54.95 9.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 1.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.802 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -62.85 -59.07 5.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 1.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.846 HG21 HG12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.91 -55.33 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 1.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.111 HG23 ' O ' ' A' ' 74' ' ' MET . 21.8 t -53.43 -60.84 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.931 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.34 -45.55 69.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 1.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.668 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -62.67 -48.99 76.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 1.0 110.401 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.049 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -45.0 -43.55 9.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 1.0 109.359 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.488 HE22 HG12 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -96.01 -17.06 21.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 1.0 110.334 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.931 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.4 -39.69 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 21' ' ' LEU . 4.8 mm-40 -97.31 20.16 11.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 1.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 44.78 26.17 1.07 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.539 1.149 . . . . 1.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.95 HD11 ' CB ' ' A' ' 18' ' ' PRO . 5.5 mt -90.18 -7.3 53.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 0.761 . . . . 1.0 109.307 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.049 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -170.01 159.13 7.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 1.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.532 ' HB3' HG11 ' A' ' 9' ' ' VAL . 1.1 pt-20 -95.54 -175.98 3.62 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.529 1.143 . . . . 1.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 1.0 110.313 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.853 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 8.1 mtt . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.484 0.183 . . . . 1.0 110.977 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.439 ' O ' ' O ' ' A' ' 65' ' ' VAL . 23.7 mt-10 -148.64 175.88 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 1.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.984 ' CB ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.9 157.75 30.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 1.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.83 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 49.9 tptt -139.03 114.68 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.746 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 0.5 OUTLIER -87.28 150.47 23.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 110.267 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.857 ' HZ ' HG22 ' A' ' 78' ' ' VAL . 54.1 m-85 -148.85 -175.65 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 1.1 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -151.97 137.67 17.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 109.624 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.958 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.8 mm -65.65 125.01 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 1.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.823 HG13 ' HD2' ' A' ' 7' ' ' HIS . 15.8 m -123.24 14.36 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 1.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB3' HD12 ' A' ' 86' ' ' LEU . . . -102.32 -17.25 15.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 1.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.7 pt-20 47.21 17.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 1.0 110.308 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.817 HG23 ' CD2' ' A' ' 15' ' ' HIS . 1.3 t -71.31 -61.36 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 1.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.718 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 134.57 34.77 0.27 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 1.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.857 HG13 HD21 ' A' ' 86' ' ' LEU . 0.8 OUTLIER 29.96 75.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 1.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.972 ' HD1' ' HB2' ' A' ' 17' ' ' ARG . 2.5 p80 -98.42 172.95 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 1.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.867 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.15 -32.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 1.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.972 ' HB2' ' HD1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -64.1 -76.12 0.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 1.0 110.304 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.984 ' CB ' HD13 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.06 -26.7 10.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 1.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.059 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -61.15 -49.33 77.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 1.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 1.06 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.34 -41.48 63.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 1.0 110.359 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.772 HD13 ' HB3' ' A' ' 84' ' ' GLU . 3.4 tt -39.92 -54.78 2.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 1.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -68.42 -65.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 1.0 109.339 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.06 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 2.6 p -46.84 -51.95 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 1.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.784 ' N ' ' O ' ' A' ' 20' ' ' THR . 2.7 pt20 -51.24 -38.03 50.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 1.0 110.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.781 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -86.42 -34.69 20.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 1.0 110.462 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.758 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -79.46 -29.42 41.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 1.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.795 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -97.5 47.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 1.0 109.974 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.765 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -154.56 23.9 0.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 1.0 109.248 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.856 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.7 m-85 -120.15 135.11 55.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -66.11 -5.27 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 1.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.538 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -94.83 178.24 5.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 1.0 110.003 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.871 ' N ' ' O ' ' A' ' 66' ' ' ASP . 63.7 m-20 -96.53 88.02 4.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 1.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.077 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -110.27 127.08 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 1.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.593 ' O ' HG13 ' A' ' 63' ' ' ILE . 27.6 m-20 -140.48 176.29 8.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 1.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.901 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.92 145.15 45.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 1.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 1.106 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.4 OUTLIER -130.51 112.44 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 1.0 110.295 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 1.358 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.1 t80 -113.68 124.71 52.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 1.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.692 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER 61.76 16.57 7.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 103.43 11.49 33.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.448 1.092 . . . . 1.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 1.106 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -100.9 96.07 7.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 0.749 . . . . 1.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.547 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 3.7 p -97.99 107.33 19.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 1.0 109.948 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.695 HG23 ' HB3' ' A' ' 46' ' ' SER . 1.0 OUTLIER -145.96 143.25 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 1.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.981 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.3 m120 -41.36 88.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 1.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.641 ' N ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -18.39 -39.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 1.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.875 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -66.16 0.95 1.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 1.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.981 ' N ' ' O ' ' A' ' 43' ' ' ASN . 8.3 t -86.95 67.44 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 1.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.762 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.3 tp -39.81 -44.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 1.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.3 ttp -47.12 -78.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 1.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -53.06 -42.69 61.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 1.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.569 HG12 ' N ' ' A' ' 51' ' ' MET . 1.1 t -63.06 -57.45 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 1.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.762 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -38.14 -58.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 110.985 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 77.4 p -55.36 -30.47 60.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 1.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.358 HD22 ' CD2' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -94.82 -88.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 1.0 109.259 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 50' ' ' VAL . . . 60.1 133.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 1.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.085 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -111.12 -175.39 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 1.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.718 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 162.84 -89.32 0.11 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 1.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.767 ' O ' ' N ' ' A' ' 59' ' ' SER . 7.0 pt20 -43.23 90.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 0.816 . . . . 1.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.799 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 35.94 16.58 0.01 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 1.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.085 ' HB3' HG12 ' A' ' 55' ' ' VAL . 11.7 m -53.84 172.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 1.0 109.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.851 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 17.7 p-10 -133.5 146.65 51.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 1.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.869 HG11 HG21 ' A' ' 55' ' ' VAL . 27.5 m -148.1 176.79 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 1.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.95 ' O ' ' N ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -136.14 135.7 39.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 1.0 110.42 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.806 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -106.97 156.4 7.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 1.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 1.077 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -137.4 149.58 47.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 1.0 110.415 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.894 HG11 ' HG2' ' A' ' 74' ' ' MET . 0.3 OUTLIER -142.32 118.08 5.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 1.0 109.258 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.871 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -139.07 121.11 15.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 1.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.59 ' O ' ' CG ' ' A' ' 70' ' ' GLU . . . 142.68 -133.32 5.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 1.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.582 ' C ' ' HG3' ' A' ' 70' ' ' GLU . . . -94.5 -60.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 1.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 71' ' ' ALA . 0.2 OUTLIER -42.58 -47.67 5.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 1.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.715 ' HA ' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER 21.06 -86.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 1.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.71 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -51.5 -68.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 1.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.4 OUTLIER -50.37 -48.7 55.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 1.0 110.312 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.731 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -48.17 -79.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 1.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.083 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.39 -32.31 64.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.778 . . . . 1.0 110.975 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -46.82 -55.18 8.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 1.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.853 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -61.39 -54.38 44.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 1.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.806 HG21 HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -47.93 -58.23 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 1.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.083 HG23 ' O ' ' A' ' 74' ' ' MET . 10.7 t -48.87 -60.58 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 1.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.979 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -53.75 -38.39 64.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 1.0 110.321 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.713 HG23 HD22 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -69.57 -57.21 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 1.0 110.382 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.946 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -38.02 -42.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 1.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.556 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -95.65 -18.65 20.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 1.0 110.27 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.979 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -72.7 -32.32 65.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 1.0 109.329 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.772 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -104.52 16.62 25.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.57 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 47.56 19.09 0.72 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.527 1.142 . . . . 1.0 111.009 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.984 HD13 ' CB ' ' A' ' 18' ' ' PRO . 1.4 tp -91.04 1.1 57.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 1.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.1 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -174.16 156.12 2.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 1.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.435 ' HG2' HG11 ' A' ' 9' ' ' VAL . 11.1 mt-10 -60.39 -175.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 1.0 110.345 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 1.0 110.284 -179.941 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 1.08 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 14.0 mtp . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.532 0.206 . . . . 1.0 111.003 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.436 ' O ' ' O ' ' A' ' 65' ' ' VAL . 18.4 mt-10 -149.88 -177.02 5.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 1.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.999 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -123.58 145.6 48.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 1.0 109.303 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.802 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 35.8 tptt -124.94 110.82 14.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 1.0 109.297 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.77 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 3.3 mp0 -84.34 143.13 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.993 ' O ' ' O ' ' A' ' 61' ' ' VAL . 23.4 m-85 -146.52 178.14 8.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 1.0 111.046 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 1.083 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -139.94 135.39 32.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 1.0 109.571 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.821 HD12 ' O ' ' A' ' 86' ' ' LEU . 3.5 mm -62.92 125.95 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 1.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.829 HG13 ' HD2' ' A' ' 7' ' ' HIS . 13.1 m -122.86 4.87 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 1.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -88.96 -15.29 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 1.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 12.9 pt-20 44.72 17.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 1.0 110.261 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.969 ' HG1' ' HE2' ' A' ' 15' ' ' HIS . 6.5 t -70.78 -56.85 5.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 1.0 110.393 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.828 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 132.87 18.6 1.08 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 1.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.785 HG12 HG23 ' A' ' 55' ' ' VAL . 0.4 OUTLIER 37.08 65.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 0.755 . . . . 1.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.969 ' HE2' ' HG1' ' A' ' 12' ' ' THR . 3.3 p80 -95.5 179.08 5.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 1.0 109.617 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.837 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -41.16 -33.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 1.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 1.011 ' HB2' ' HD3' ' A' ' 18' ' ' PRO . 4.1 mmm180 -69.58 -70.39 0.35 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 1.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 1.011 ' HD3' ' HB2' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -74.99 -27.69 9.82 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.527 1.804 . . . . 1.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.05 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -61.16 -49.54 76.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 1.129 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -71.71 -39.92 69.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 1.0 110.387 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.597 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.1 tt -39.86 -58.21 1.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 1.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.799 HD23 HD13 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -67.75 -65.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.0 109.321 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.129 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 4.6 p -45.81 -53.13 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.779 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.0 OUTLIER -49.78 -38.19 33.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 1.0 110.299 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.847 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.93 -26.6 27.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 1.0 110.408 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.782 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -86.96 -34.34 19.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 1.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.8 ' N ' ' O ' ' A' ' 23' ' ' VAL . 1.0 OUTLIER -91.92 43.36 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 1.0 110.015 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.859 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.28 21.11 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 1.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.874 ' HZ ' ' HB3' ' A' ' 76' ' ' ALA . 21.3 m-85 -117.24 142.84 46.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 1.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -72.62 -1.28 15.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 1.0 109.216 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.517 ' HB2' ' CB ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -100.25 178.12 4.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 1.0 110.036 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.808 ' N ' ' O ' ' A' ' 66' ' ' ASP . 16.3 m-20 -96.12 88.47 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 1.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.063 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -110.69 128.28 67.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 1.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.569 ' O ' HG13 ' A' ' 63' ' ' ILE . 20.0 m-20 -138.39 176.56 8.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 1.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.941 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -120.46 139.58 52.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 1.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.914 ' O ' ' N ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -125.22 120.29 30.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 1.0 110.275 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 1.272 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.4 t80 -123.7 125.13 44.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 1.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.638 ' HG3' ' CD1' ' A' ' 37' ' ' TYR . 13.7 mtpt 73.71 -2.24 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 1.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 118.66 -1.33 15.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 1.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.883 ' HB3' HD11 ' A' ' 53' ' ' LEU . 13.6 tttt -97.26 108.84 21.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 1.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.646 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 2.9 t -103.58 118.78 37.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.577 1.173 . . . . 1.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.632 HG23 ' HB3' ' A' ' 46' ' ' SER . 1.0 OUTLIER -146.34 142.78 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 1.0 109.221 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.968 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.6 m120 -42.64 87.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 1.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.633 ' C ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -18.73 -37.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 1.0 109.286 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.911 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -65.91 -2.37 3.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 1.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.968 ' N ' ' O ' ' A' ' 43' ' ' ASN . 30.3 t -87.09 68.87 10.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 1.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.795 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.3 tp -39.95 -55.06 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 1.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.534 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 8.8 ttp -40.0 -73.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 1.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.746 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -56.74 -51.85 54.33 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.442 1.089 . . . . 1.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.2 t -55.82 -51.8 55.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 1.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.795 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -42.28 -52.32 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 1.0 111.034 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.35 -25.61 68.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 1.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.272 HD22 ' CD2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -92.36 -86.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 1.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.652 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 55.35 146.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 1.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.005 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -127.9 -171.5 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 1.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.828 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 160.23 -94.89 0.13 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.525 1.14 . . . . 1.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.658 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.7 mt-30 -39.45 85.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 1.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.873 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 41.72 12.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 1.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.005 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.1 m -54.24 138.58 38.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 1.0 109.985 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.831 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 6.9 p-10 -100.85 148.48 24.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 1.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.993 ' O ' ' O ' ' A' ' 6' ' ' PHE . 30.8 m -148.3 -178.6 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 1.0 109.284 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.914 ' N ' ' O ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -137.28 131.56 32.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 1.0 110.399 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.94 HG12 HG21 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -102.77 152.76 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 1.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 1.063 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 m -135.68 148.51 48.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 1.0 110.362 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.095 HG11 ' HG2' ' A' ' 74' ' ' MET . 4.5 p -146.96 120.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 1.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 1.08 ' HA ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -140.59 120.71 13.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.296 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.552 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 146.54 -143.96 12.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 1.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.586 ' C ' ' HG3' ' A' ' 70' ' ' GLU . . . -88.9 -48.42 7.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 0.745 . . . . 1.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.655 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -55.04 -37.33 66.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 1.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.777 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER 11.58 -88.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 1.0 110.349 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.695 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -48.62 -70.57 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 1.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 69' ' ' ASP . 2.1 tp10 -45.67 -52.07 11.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 1.125 . . . . 1.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.763 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -50.29 -80.24 0.06 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.156 . . . . 1.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.175 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -52.72 -33.97 50.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 0.729 . . . . 1.0 111.007 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.695 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -45.75 -58.79 3.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 1.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.874 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -57.49 -57.15 13.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 1.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.94 HG21 HG12 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -48.19 -56.41 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 1.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.175 HG23 ' O ' ' A' ' 74' ' ' MET . 14.1 t -51.14 -60.3 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.894 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -54.18 -48.15 71.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 1.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.599 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -60.32 -52.21 66.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 1.0 110.379 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.008 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -42.6 -44.04 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 1.0 109.357 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.486 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -95.61 -18.99 20.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 1.0 110.307 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.894 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -79.34 -43.21 23.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 80' ' ' THR . 6.3 mm-40 -91.74 13.19 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 1.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.621 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 53.12 16.13 4.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.423 1.077 . . . . 1.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.821 ' O ' HD12 ' A' ' 8' ' ' ILE . 7.5 mt -83.68 3.57 32.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 1.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.083 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -177.34 160.81 1.72 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 1.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.618 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -101.55 175.91 5.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 1.0 110.297 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 1.0 110.331 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.731 ' H1 ' ' HG2' ' A' ' 70' ' ' GLU . 5.9 mtt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.499 0.19 . . . . 1.0 110.974 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' ' 65' ' ' VAL . 40.6 mt-10 -148.63 179.31 7.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 1.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 1.013 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -122.48 160.54 25.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 1.0 109.303 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.796 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.0 tptt -142.54 113.73 7.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 1.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.691 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 2.4 mp0 -90.04 151.32 21.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 1.0 110.34 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.988 ' O ' ' O ' ' A' ' 61' ' ' VAL . 44.5 m-85 -149.05 -177.8 6.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 1.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.968 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -144.47 137.85 27.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 1.0 109.596 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.198 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.2 mm -62.05 125.43 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 1.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 85' ' ' GLY . 15.8 m -125.83 2.19 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 1.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.632 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -84.17 -18.2 37.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 1.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 12.2 pt-20 47.0 14.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 1.0 110.298 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.758 HG23 ' CD2' ' A' ' 15' ' ' HIS . 1.3 t -74.84 -60.05 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 1.0 110.449 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.728 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 140.04 17.94 0.45 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 1.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.93 HG12 HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER 46.91 74.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 1.0 109.299 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.878 ' ND1' ' HB2' ' A' ' 17' ' ' ARG . 2.4 p80 -100.93 172.12 7.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.633 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.923 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.0 -32.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.924 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -62.52 -76.43 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 1.0 110.322 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.924 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.4 Cg_endo -75.0 -27.53 9.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 1.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.995 ' O ' HG12 ' A' ' 23' ' ' VAL . . . -63.66 -48.76 75.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 1.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 1.086 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.2 OUTLIER -74.3 -40.15 62.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 1.0 110.397 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.038 HD22 ' HG2' ' A' ' 84' ' ' GLU . 3.2 tt -40.98 -53.14 3.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 1.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.682 HD23 HD13 ' A' ' 86' ' ' LEU . 0.9 OUTLIER -69.68 -65.35 0.73 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 1.0 109.349 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.086 ' CG1' ' HA ' ' A' ' 20' ' ' THR . 3.0 p -47.44 -50.71 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 1.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.777 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -52.44 -38.91 60.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 1.0 110.296 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.734 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -83.79 -33.46 24.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 1.0 110.37 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.903 ' CB ' HD22 ' A' ' 44' ' ' LEU . . . -79.39 -33.27 42.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 1.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.763 ' N ' ' O ' ' A' ' 23' ' ' VAL . 25.7 p -91.9 49.25 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 110.024 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.746 ' CD ' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -157.99 24.49 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 1.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.814 ' HZ ' ' HB3' ' A' ' 76' ' ' ALA . 22.6 m-85 -120.85 136.17 54.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 1.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -67.51 -4.3 11.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 1.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.505 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -93.17 178.0 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 1.0 110.016 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.815 ' N ' ' O ' ' A' ' 66' ' ' ASP . 22.5 m-20 -95.3 76.66 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 1.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.064 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -100.21 128.19 52.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 1.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.673 ' O ' HG13 ' A' ' 63' ' ' ILE . 27.9 m-20 -136.74 175.72 9.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 1.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.146 HD13 ' CD1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -121.09 144.89 48.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 1.0 109.337 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 1.02 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 1.0 OUTLIER -126.48 98.18 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 110.322 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 1.146 ' CD1' HD13 ' A' ' 35' ' ' LEU . 5.9 m-30 -104.88 145.29 30.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 1.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.792 ' HB2' HD21 ' A' ' 53' ' ' LEU . 17.3 mtmt 50.85 20.03 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 1.0 109.322 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 37' ' ' TYR . . . 87.61 37.31 8.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 1.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 1.02 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -135.86 109.4 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 0.792 . . . . 1.0 109.271 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.654 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 1.1 p -95.58 114.69 26.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 1.0 109.991 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.663 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -145.88 142.73 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 1.0 109.326 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.95 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.3 m120 -40.06 86.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 1.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.903 HD22 ' CB ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -19.72 -39.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 1.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.831 ' N ' ' O ' ' A' ' 43' ' ' ASN . 5.6 ttmt -62.46 -3.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 1.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.95 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.4 t -87.4 61.77 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 1.0 110.054 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.837 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.4 tp -40.07 -49.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 1.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.453 ' HE2' ' HB3' ' A' ' 48' ' ' MET . 9.4 ttp -41.38 -75.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 1.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.574 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -53.2 -45.91 63.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 1.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.764 ' CG2' HD21 ' A' ' 35' ' ' LEU . 1.1 t -62.97 -49.88 81.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 1.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.837 ' N ' ' O ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -41.04 -58.68 1.67 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 1.0 111.025 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 p -62.08 -17.72 58.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 1.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.894 HD12 ' CE ' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -93.14 -91.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 1.0 109.355 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.473 ' O ' ' O ' ' A' ' 53' ' ' LEU . . . 56.36 150.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.573 1.17 . . . . 1.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.069 HG22 ' CD2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -134.36 -174.85 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 1.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.882 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . 170.33 -80.35 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 1.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.7 ' C ' ' H ' ' A' ' 59' ' ' SER . 4.4 pt20 -40.0 72.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 1.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.948 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 45.89 5.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.525 1.14 . . . . 1.0 111.045 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.745 ' CB ' HG12 ' A' ' 55' ' ' VAL . 75.5 m -41.27 165.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 0.784 . . . . 1.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.73 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.2 p30 -111.89 158.1 19.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 1.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.988 ' O ' ' O ' ' A' ' 6' ' ' PHE . 30.3 m -150.97 178.4 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 1.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.862 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -148.95 139.1 22.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 1.0 110.433 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.942 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -116.06 157.3 16.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 1.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 1.064 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.8 m -139.72 148.27 42.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 110.452 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.057 HG11 ' HG2' ' A' ' 74' ' ' MET . 4.9 p -143.73 107.27 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 1.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.815 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -129.42 120.58 25.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 1.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.648 ' O ' ' CD ' ' A' ' 70' ' ' GLU . . . 146.14 -129.98 3.56 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.457 1.098 . . . . 1.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.505 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . -97.41 -67.92 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 0.776 . . . . 1.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.652 ' O ' ' N ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -36.67 -37.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 1.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.758 ' HA ' HG22 ' A' ' 65' ' ' VAL . 3.7 mt-10 15.79 -82.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 1.0 110.349 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.652 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -55.28 -73.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.499 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -43.61 -51.03 7.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 1.0 110.257 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.708 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -48.58 -78.8 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.521 1.138 . . . . 1.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.12 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.84 -31.67 64.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 0.779 . . . . 1.0 110.924 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -47.4 -56.98 5.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 1.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.814 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -60.95 -56.07 25.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 1.0 109.346 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.942 HG21 HG21 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.35 -58.17 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 1.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.12 HG23 ' O ' ' A' ' 74' ' ' MET . 20.2 t -48.43 -61.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 1.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.93 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -53.74 -37.53 63.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.0 110.345 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.64 ' O ' ' CD ' ' A' ' 84' ' ' GLU . 0.4 OUTLIER -69.49 -56.14 8.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 1.0 110.405 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.871 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -39.06 -42.07 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 1.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.583 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -95.68 -16.16 22.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 1.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.93 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -76.98 -37.36 55.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 1.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 1.038 ' HG2' HD22 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -93.62 3.94 54.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.0 110.312 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.866 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 60.87 4.82 4.69 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.513 1.133 . . . . 1.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.198 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 1.5 tt -74.13 -15.11 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 1.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.968 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -156.35 164.57 38.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 1.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.8 ' HG2' HG11 ' A' ' 9' ' ' VAL . 15.2 mt-10 -72.7 -168.31 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 1.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 1.0 110.284 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 1.156 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 3.1 mtm . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.494 0.188 . . . . 1.0 110.989 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -148.0 170.84 16.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 1.0 110.259 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 1.036 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -121.7 150.7 41.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 1.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.812 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.0 tptt -133.21 112.9 12.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.749 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 0.9 OUTLIER -85.09 156.39 21.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 1.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.825 ' HE2' HG13 ' A' ' 78' ' ' VAL . 69.9 m-85 -155.8 -176.28 5.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 1.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.931 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -146.03 136.43 23.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 1.0 109.557 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.102 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 2.9 mm -64.43 124.02 18.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 1.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.827 HG11 ' HG2' ' A' ' 88' ' ' GLU . 14.1 m -121.22 2.38 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 1.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 85' ' ' GLY . . . -86.95 -16.45 35.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 1.0 109.321 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 7.8 pt-20 46.43 15.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 1.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.843 ' HG1' ' HE2' ' A' ' 15' ' ' HIS . 6.6 t -67.94 -57.36 6.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 1.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.797 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 135.88 12.2 1.18 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.477 1.111 . . . . 1.0 111.037 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.728 HG12 HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER 44.06 68.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.415 0.715 . . . . 1.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.866 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 2.5 p80 -97.84 176.92 5.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 1.0 109.592 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.74 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.5 -35.2 0.42 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 1.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.864 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -65.91 -72.52 0.27 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 1.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.866 ' HD3' ' CE1' ' A' ' 15' ' ' HIS . 18.3 Cg_endo -74.99 -31.39 6.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 1.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.125 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -56.83 -53.71 54.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 1.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.901 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -72.34 -35.1 68.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 1.0 110.379 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.642 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.8 tt -39.88 -51.67 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 1.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.823 HD23 HD13 ' A' ' 86' ' ' LEU . 0.6 OUTLIER -73.63 -51.76 15.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.125 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -57.39 -44.83 85.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 1.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.839 ' N ' ' O ' ' A' ' 20' ' ' THR . 6.7 pt20 -58.45 -39.37 79.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 1.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.767 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.69 -28.23 26.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 1.0 110.348 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.804 ' HB1' ' CD1' ' A' ' 33' ' ' ILE . . . -83.91 -35.61 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 1.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.718 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -91.76 45.59 1.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 1.0 110.002 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.81 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -149.49 21.05 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 1.0 109.271 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.845 ' HD2' HG21 ' A' ' 33' ' ' ILE . 22.4 m-85 -118.08 137.38 52.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 1.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -63.1 -5.76 3.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 1.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.521 ' OG ' ' CA ' ' A' ' 67' ' ' GLY . 0.5 OUTLIER -98.11 174.2 6.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 1.0 110.029 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.871 ' N ' ' O ' ' A' ' 66' ' ' ASP . 3.2 m-20 -95.17 92.88 7.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 1.0 109.333 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.093 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -114.52 127.67 71.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 1.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.577 ' O ' HG13 ' A' ' 63' ' ' ILE . 36.0 m-20 -138.04 176.19 8.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 1.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.879 HD12 ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -118.74 143.2 47.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 1.0 109.324 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.982 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -128.41 112.95 14.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 1.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 1.262 ' CD2' HD22 ' A' ' 53' ' ' LEU . 1.3 t80 -114.16 123.35 49.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 1.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.676 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 16.5 mtmt 73.38 -1.3 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 1.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.64 -2.42 13.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.558 1.161 . . . . 1.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.982 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -93.63 107.4 19.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 1.0 109.29 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.663 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 3.1 p -102.39 114.36 28.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 1.0 110.008 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.815 HG13 ' HD3' ' A' ' 40' ' ' LYS . 4.3 m -145.51 145.4 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 1.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 1.006 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.9 m-20 -41.94 86.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 1.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.655 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -17.45 -41.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.863 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -66.49 1.55 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 1.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 1.006 ' N ' ' O ' ' A' ' 43' ' ' ASN . 6.0 t -88.53 68.6 8.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 1.0 109.949 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.855 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -40.05 -51.43 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.26 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.478 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 12.6 ttp -40.01 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 1.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.537 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -54.75 -47.49 71.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.486 1.116 . . . . 1.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 53' ' ' LEU . 1.1 t -60.06 -53.33 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 1.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.855 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.3 tpp -39.7 -54.48 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.2 p -58.93 -26.48 64.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 1.0 109.982 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.262 HD22 ' CD2' ' A' ' 37' ' ' TYR . 1.8 mt -92.74 -87.34 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 1.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 60.42 125.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 1.0 110.991 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.994 HG12 ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -108.91 -173.16 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 1.0 109.269 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.797 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 159.62 -92.15 0.12 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.522 1.139 . . . . 1.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.679 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.2 mt-30 -36.56 81.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 1.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.931 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 41.69 11.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.454 1.097 . . . . 1.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.994 ' CB ' HG12 ' A' ' 55' ' ' VAL . 13.0 m -47.63 173.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 1.0 110.006 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.905 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.5 p30 -135.05 146.05 48.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 1.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.81 HG13 HG11 ' A' ' 55' ' ' VAL . 27.7 m -148.02 173.55 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 1.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.868 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -126.94 146.82 50.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.409 1.068 . . . . 1.0 110.386 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.645 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -118.17 154.32 20.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 1.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 1.093 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -137.95 149.43 46.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 1.0 110.411 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.123 HG11 ' HG2' ' A' ' 74' ' ' MET . 5.9 p -143.97 123.03 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 1.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 1.156 ' HA ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -138.24 123.94 19.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.596 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 140.56 -142.31 12.24 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 1.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.597 ' C ' ' HG3' ' A' ' 70' ' ' GLU . . . -92.13 -47.56 7.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 1.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.687 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -56.23 -26.76 52.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 1.0 109.292 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.803 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER 0.79 -79.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 1.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.589 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -55.36 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 1.0 109.342 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -41.66 -51.04 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 1.0 110.307 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.787 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -50.07 -81.03 0.05 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 1.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.172 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -53.84 -32.91 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 1.0 110.962 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . -47.17 -58.46 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 1.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.767 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -57.21 -57.02 14.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.645 HG21 HG21 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.57 -57.19 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 1.0 109.334 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.172 HG23 ' O ' ' A' ' 74' ' ' MET . 9.7 t -50.06 -59.92 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 1.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.93 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -55.66 -46.83 77.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.602 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -60.12 -45.1 94.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 1.0 110.414 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.009 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.39 -47.12 37.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 1.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.507 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 3.7 pt20 -94.5 -11.61 29.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 1.0 110.321 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.93 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -84.38 -39.9 18.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 1.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.547 ' CD ' HD11 ' A' ' 21' ' ' LEU . 10.2 mm-40 -92.66 7.94 41.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 1.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.669 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 61.38 6.83 8.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 1.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.102 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.6 mt -67.45 -41.35 84.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.795 . . . . 1.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.009 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -138.6 176.24 8.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 1.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.827 ' HG2' HG11 ' A' ' 9' ' ' VAL . 18.2 mt-10 -80.02 -170.68 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 1.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 1.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' CG ' ' HB3' ' A' ' 66' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.476 0.179 . . . . 1.0 111.009 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.843 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -98.28 97.68 9.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 1.0 110.312 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 1.023 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -96.63 147.55 23.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.802 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 47.8 tptt -140.39 114.57 9.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 1.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.742 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 4.4 mp0 -83.46 160.05 21.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 1.0 110.358 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.811 ' O ' ' O ' ' A' ' 61' ' ' VAL . 76.4 m-85 -160.31 -176.46 5.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 1.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.924 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -147.97 135.62 20.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.593 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.943 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -63.63 125.73 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' ' 85' ' ' GLY . 17.3 m -122.23 1.78 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 1.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.514 ' CB ' ' HA ' ' A' ' 86' ' ' LEU . . . -88.51 -15.98 33.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 1.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 10.5 pt-20 45.52 17.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 110.276 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.911 ' HG1' ' HE2' ' A' ' 15' ' ' HIS . 7.4 t -67.2 -54.89 16.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 1.0 110.424 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.749 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 133.46 10.03 1.96 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.492 1.12 . . . . 1.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.756 HD12 ' CD2' ' A' ' 86' ' ' LEU . 0.2 OUTLIER 46.7 65.35 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.569 0.805 . . . . 1.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.93 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.2 p80 -94.86 178.42 5.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 1.0 109.602 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.755 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -41.7 -33.46 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 1.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.978 ' HB2' ' HD3' ' A' ' 18' ' ' PRO . 7.8 mmm180 -67.82 -71.4 0.32 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 1.0 110.282 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.978 ' HD3' ' HB2' ' A' ' 17' ' ' ARG . 18.5 Cg_endo -74.93 -30.62 7.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 1.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.141 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -57.79 -54.67 44.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 1.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.875 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -71.31 -35.58 71.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 110.387 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.66 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.6 tt -39.92 -52.11 2.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 1.0 109.294 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.804 HD23 HD13 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -73.15 -53.0 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 1.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.141 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -56.42 -44.67 80.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 1.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.84 ' N ' ' O ' ' A' ' 20' ' ' THR . 4.8 pt20 -58.26 -39.12 78.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.752 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -85.26 -30.45 23.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 1.0 110.407 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.812 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -84.79 -31.55 23.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 1.0 109.355 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.781 ' N ' ' O ' ' A' ' 23' ' ' VAL . 2.3 p -93.08 42.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.113 . . . . 1.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.806 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -148.18 21.55 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.274 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.806 ' CE1' ' HD2' ' A' ' 28' ' ' LYS . 21.7 m-85 -117.62 135.54 53.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 1.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 m-20 -66.54 -4.49 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 1.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' A' ' 69' ' ' ASP . 14.5 m -97.99 177.67 5.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 1.0 110.028 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.834 ' N ' ' O ' ' A' ' 66' ' ' ASP . 1.1 m-20 -93.33 95.92 9.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 1.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.08 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -120.17 125.83 74.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 1.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.56 ' O ' HG13 ' A' ' 63' ' ' ILE . 20.8 m-20 -140.64 175.81 9.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 1.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.938 HD12 ' N ' ' A' ' 36' ' ' GLU . 0.1 OUTLIER -118.61 146.89 44.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 1.0 109.358 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.938 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -131.61 116.63 17.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 1.0 110.302 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.762 ' CB ' HG12 ' A' ' 61' ' ' VAL . 3.8 t80 -115.95 118.62 33.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 1.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.59 ' HG3' ' CE1' ' A' ' 37' ' ' TYR . 19.1 mtmt 71.02 5.36 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 1.0 109.348 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.425 ' C ' ' HG2' ' A' ' 36' ' ' GLU . . . 117.18 -7.82 16.33 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 1.0 111.03 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.937 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 4.1 tmmm? -85.93 101.1 12.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 1.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.607 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 2.6 t -101.73 115.31 30.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 1.0 110.004 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.682 ' O ' ' N ' ' A' ' 44' ' ' LEU . 5.8 m -147.88 144.17 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 1.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.976 ' O ' ' N ' ' A' ' 46' ' ' SER . 5.0 m-80 -41.54 85.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 1.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.682 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -15.34 -42.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 1.0 109.31 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.901 ' N ' ' O ' ' A' ' 43' ' ' ASN . 0.4 OUTLIER -64.97 0.82 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 1.0 109.32 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.976 ' N ' ' O ' ' A' ' 43' ' ' ASN . 13.7 t -87.46 78.55 8.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 1.0 110.055 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.83 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -39.93 -56.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 1.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.592 ' HE2' ' H ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -40.82 -73.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 1.0 110.963 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.592 ' H ' ' HE2' ' A' ' 48' ' ' MET . . . -57.19 -41.34 92.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 1.0 110.99 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.62 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.7 OUTLIER -65.29 -57.01 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 1.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.83 ' N ' ' O ' ' A' ' 47' ' ' ILE . 8.3 tpp -40.09 -44.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 1.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.9 p -73.81 -25.4 60.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 1.0 109.965 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.789 HD21 HD21 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -87.87 -60.19 2.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 1.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.753 ' N ' HD12 ' A' ' 53' ' ' LEU . . . 17.82 104.42 0.0 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 1.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.949 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -94.32 -175.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.446 0.733 . . . . 1.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.793 ' O ' ' N ' ' A' ' 58' ' ' GLY . . . 167.75 -94.33 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 1.0 110.96 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.662 ' C ' ' H ' ' A' ' 59' ' ' SER . 8.5 pt20 -33.64 79.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.764 . . . . 1.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.924 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 44.55 8.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.5 1.125 . . . . 1.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.949 ' HB3' HG12 ' A' ' 55' ' ' VAL . 5.7 m -45.87 162.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 0.736 . . . . 1.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.902 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 3.9 p30 -125.49 147.08 49.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 1.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.811 ' O ' ' O ' ' A' ' 6' ' ' PHE . 30.0 m -147.01 174.53 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 1.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.904 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -130.05 135.95 48.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.0 110.392 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.725 HG21 HG21 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -107.26 157.52 7.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 1.0 109.314 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 1.08 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 m -138.77 145.53 40.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 1.0 110.385 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.039 HG11 ' HG2' ' A' ' 74' ' ' MET . 1.6 p -144.25 123.9 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.834 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -142.83 127.44 18.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 1.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.578 ' O ' ' HG2' ' A' ' 70' ' ' GLU . . . 134.13 -151.55 20.3 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 1.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.551 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -77.91 -57.98 3.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.766 . . . . 1.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.671 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -54.42 -29.57 49.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 1.0 109.247 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 1.011 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.8 pp20? -10.05 -61.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 1.0 110.268 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.865 ' O ' ' HE2' ' A' ' 74' ' ' MET . . . -58.89 -75.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 1.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -50.8 -46.03 59.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 1.0 110.289 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.743 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -46.69 -77.89 0.09 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.446 1.091 . . . . 1.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.16 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -56.01 -33.55 64.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.574 0.808 . . . . 1.0 111.007 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -47.55 -53.53 14.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 1.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.773 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -62.43 -59.23 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 1.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.725 HG21 HG21 ' A' ' 63' ' ' ILE . 0.3 OUTLIER -45.0 -57.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.16 HG23 ' O ' ' A' ' 74' ' ' MET . 15.2 t -50.51 -60.87 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 1.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.895 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -55.04 -49.79 70.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 110.245 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.572 ' HB ' ' O ' ' A' ' 76' ' ' ALA . 0.3 OUTLIER -58.49 -47.1 85.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 1.0 110.449 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.798 HD13 ' CB ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -45.21 -48.0 12.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 1.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.545 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 6.0 pt20 -95.44 -12.51 25.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 1.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.895 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.53 -40.62 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.097 . . . . 1.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.558 ' CD ' HD11 ' A' ' 21' ' ' LEU . 8.7 mm-40 -91.42 5.09 50.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 1.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.826 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 67.69 -4.73 3.85 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.124 . . . . 1.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.943 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 4.3 mt -53.78 -50.4 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 0.754 . . . . 1.0 109.289 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.834 ' HA ' ' O ' ' A' ' 7' ' ' HIS . . . -130.84 174.7 9.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 1.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.74 179.74 7.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 1.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 1.0 110.296 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.544 ' CG ' ' OE2' ' A' ' 70' ' ' GLU . 3.1 mmt . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.458 0.17 . . . . 1.0 110.982 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.573 ' O ' HG12 ' A' ' 65' ' ' VAL . 10.6 mt-10 -141.31 154.75 45.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 1.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 1.011 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.1 OUTLIER -115.57 142.87 46.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 109.262 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.805 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 39.1 tptt -124.9 109.91 13.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 1.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.712 ' HG3' HG23 ' A' ' 62' ' ' THR . 3.0 mp0 -84.92 143.06 29.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 1.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 1.006 ' O ' ' O ' ' A' ' 61' ' ' VAL . 23.4 m-85 -145.4 -178.48 6.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.954 ' O ' ' HA ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -145.49 143.2 29.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 1.0 109.619 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.735 HG21 ' HA2' ' A' ' 56' ' ' GLY . 3.7 mm -73.25 107.4 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 1.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.998 ' N ' ' O ' ' A' ' 86' ' ' LEU . 14.9 m -93.24 10.45 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 1.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 85' ' ' GLY . . . -126.83 117.02 21.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 1.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.484 ' O ' ' C ' ' A' ' 12' ' ' THR . 7.8 pt-20 -60.82 -3.2 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 1.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 1.04 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -31.56 -76.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 110.412 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.851 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 130.06 31.68 0.57 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 1.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.913 ' CD1' HD21 ' A' ' 86' ' ' LEU . 0.9 OUTLIER 31.2 73.24 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 1.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 1.04 ' CD2' HG23 ' A' ' 12' ' ' THR . 2.4 p80 -97.14 174.88 6.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.585 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.719 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -39.92 -34.53 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 1.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.911 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -63.84 -75.59 0.13 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.911 ' HD3' ' CB ' ' A' ' 17' ' ' ARG . 18.2 Cg_endo -75.04 -27.78 9.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 1.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.136 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -58.42 -52.96 63.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 1.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.876 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -73.71 -37.79 65.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 1.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.679 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 3.6 tt -39.94 -49.18 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 1.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -74.05 -52.21 13.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 1.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.136 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -58.71 -44.8 90.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 1.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.847 ' N ' ' O ' ' A' ' 20' ' ' THR . 7.8 pt20 -57.96 -39.23 77.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.708 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -86.46 -34.58 20.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 1.0 110.423 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.849 ' O ' ' CG2' ' A' ' 33' ' ' ILE . . . -73.43 -38.89 65.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 1.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 23' ' ' VAL . 0.4 OUTLIER -90.89 14.61 13.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 1.0 109.989 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.876 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -104.02 5.97 35.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 1.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.981 ' HZ ' ' HB3' ' A' ' 76' ' ' ALA . 12.3 m-85 -109.31 165.21 11.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 1.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -94.28 0.81 55.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 1.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.547 ' OG ' ' N ' ' A' ' 68' ' ' ALA . 0.5 OUTLIER -95.88 177.88 5.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 1.0 110.003 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.8 ' N ' ' O ' ' A' ' 66' ' ' ASP . 15.3 m-20 -95.84 81.62 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 1.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.13 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -106.63 125.67 62.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 1.0 109.269 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.572 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 19.2 m-20 -138.08 178.0 7.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 1.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.908 HD12 ' C ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -118.26 141.06 48.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 1.0 109.328 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.852 ' HA ' ' O ' ' A' ' 40' ' ' LYS . 30.4 tt0 -124.14 116.24 22.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.58 1.175 . . . . 1.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.759 ' CB ' HG12 ' A' ' 61' ' ' VAL . 3.5 t80 -116.06 114.31 24.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.147 . . . . 1.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.618 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 12.7 mtmt 70.35 5.03 5.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.448 ' C ' ' HG3' ' A' ' 36' ' ' GLU . . . 120.17 -7.73 11.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 1.0 111.016 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.852 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -86.34 98.04 10.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 1.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.619 ' HA ' ' O ' ' A' ' 35' ' ' LEU . 3.8 p -102.23 111.16 23.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 1.0 110.036 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.763 HG13 ' HD2' ' A' ' 40' ' ' LYS . 4.3 m -144.3 147.08 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.0 109.363 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.986 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.1 m120 -42.41 81.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 1.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.731 ' N ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -12.87 -43.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 1.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.957 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.4 tttt -67.65 3.83 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 1.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.986 ' N ' ' O ' ' A' ' 43' ' ' ASN . 16.3 t -89.1 81.62 6.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 1.0 109.959 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.775 ' O ' ' N ' ' A' ' 51' ' ' MET . 0.9 OUTLIER -39.86 -56.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 1.0 109.298 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.551 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 10.3 ttp -41.39 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.518 ' HA3' HG21 ' A' ' 42' ' ' VAL . . . -54.75 -43.45 80.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 1.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.688 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.8 OUTLIER -61.7 -59.8 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 1.0 109.325 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.775 ' N ' ' O ' ' A' ' 47' ' ' ILE . 13.9 mmm -39.56 -42.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.0 p -76.02 -26.02 56.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 1.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.686 HD12 ' C ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -90.83 -56.09 3.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 1.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.688 ' N ' ' O ' ' A' ' 50' ' ' VAL . . . 15.8 108.53 0.0 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.587 1.179 . . . . 1.0 111.033 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.98 HG12 ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -100.95 -175.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 1.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.851 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 164.96 -91.29 0.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.119 . . . . 1.0 111.047 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.669 ' O ' ' N ' ' A' ' 59' ' ' SER . 3.6 mt-30 -35.56 83.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 1.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.751 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 40.06 15.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.148 . . . . 1.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.98 ' HB3' HG12 ' A' ' 55' ' ' VAL . 4.0 m -51.73 172.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 1.0 110.04 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.764 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.7 p30 -136.18 145.26 45.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 1.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.006 ' O ' ' O ' ' A' ' 6' ' ' PHE . 26.9 m -147.15 177.45 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 1.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.85 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -132.67 133.36 43.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 1.0 110.391 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.707 HG22 ' HB3' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -102.69 153.61 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 1.0 109.238 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 1.13 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.3 m -139.63 148.83 43.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 1.0 110.44 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.066 HG11 ' HG2' ' A' ' 74' ' ' MET . 5.1 p -142.34 112.91 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.8 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -129.84 121.83 27.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 1.0 109.254 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.608 ' O ' ' CD ' ' A' ' 70' ' ' GLU . . . 143.55 -129.69 3.8 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.465 1.103 . . . . 1.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.547 ' N ' ' OG ' ' A' ' 31' ' ' SER . . . -98.83 -69.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.734 . . . . 1.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.675 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -37.94 -29.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 1.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.77 ' HA ' HG22 ' A' ' 65' ' ' VAL . 40.0 mt-10 8.36 -84.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 1.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -54.48 -70.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 1.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -44.39 -50.61 9.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 1.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.772 ' HA2' ' CG ' ' A' ' 29' ' ' PHE . . . -49.4 -79.31 0.07 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.559 1.162 . . . . 1.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.205 ' O ' HG23 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -51.64 -33.84 35.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 1.0 110.957 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 72' ' ' GLU . . . -46.6 -61.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 1.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.981 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -53.6 -55.21 27.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 1.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.631 HG21 HG12 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -46.43 -55.44 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.16 . . . . 1.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.205 HG23 ' O ' ' A' ' 74' ' ' MET . 4.6 t -51.26 -62.04 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 1.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.943 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -52.99 -37.09 61.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 1.0 110.344 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.656 ' HA ' ' HB3' ' A' ' 83' ' ' LYS . 0.6 OUTLIER -70.02 -55.35 9.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 1.0 110.371 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.015 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -39.06 -42.71 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 1.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.509 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 2.6 pt20 -95.43 -17.55 21.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 1.0 110.341 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.943 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -73.91 -32.24 63.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 1.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.666 ' HB3' HD13 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -97.74 8.06 45.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 1.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.7 ' O ' HG23 ' A' ' 9' ' ' VAL . . . 60.1 6.84 5.98 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.46 1.1 . . . . 1.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.998 ' O ' ' N ' ' A' ' 9' ' ' VAL . 1.8 tp -71.02 -59.24 2.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.015 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -116.06 164.85 13.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 1.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.653 ' HG2' HG11 ' A' ' 9' ' ' VAL . 61.4 mt-10 -62.63 -168.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 1.0 110.306 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.411 ' HA ' ' CG ' ' A' ' 82' ' ' GLN . 11.1 pt20 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 1.0 110.265 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.452 ' N ' ' HA ' ' A' ' 66' ' ' ASP . 11.4 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.537 0.208 . . . . 1.0 111.03 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.567 ' O ' HG12 ' A' ' 65' ' ' VAL . 7.6 mt-10 -135.67 129.88 33.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.414 1.071 . . . . 1.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.965 ' HB2' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -104.88 134.88 47.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 1.0 109.337 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.824 ' CG ' ' CZ ' ' A' ' 6' ' ' PHE . 43.9 tptt -121.08 111.75 17.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 1.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.696 ' HA ' ' HA ' ' A' ' 62' ' ' THR . 8.5 mp0 -82.48 157.11 23.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 1.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.89 ' O ' ' O ' ' A' ' 61' ' ' VAL . 86.3 m-85 -157.53 -177.5 6.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 1.0 111.003 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.893 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -145.73 134.12 21.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 1.0 109.606 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.015 ' HA ' ' O ' ' A' ' 86' ' ' LEU . 3.4 mm -62.06 129.77 25.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 1.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.802 HG13 ' HD2' ' A' ' 7' ' ' HIS . 16.5 m -127.41 20.36 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 1.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.634 ' CB ' HD23 ' A' ' 86' ' ' LEU . . . -101.99 -17.16 16.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.526 ' HA ' ' H ' ' A' ' 58' ' ' GLY . 11.2 pt-20 45.39 18.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 1.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.784 HG23 ' CD2' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -80.19 -60.59 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 1.0 110.346 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.778 ' HA2' ' HA3' ' A' ' 56' ' ' GLY . . . 134.88 54.15 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.501 1.126 . . . . 1.0 110.967 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.823 HG23 ' HA ' ' A' ' 19' ' ' ALA . 1.1 mp 2.39 76.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.757 . . . . 1.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.893 ' CE1' ' HD3' ' A' ' 18' ' ' PRO . 3.0 p80 -97.82 176.84 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 1.0 109.619 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.77 ' O ' ' OG1' ' A' ' 20' ' ' THR . . . -40.2 -36.36 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 1.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.871 ' CB ' ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -63.86 -73.22 0.22 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 1.0 110.325 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.939 ' HB2' HD11 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.95 -30.63 7.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.477 1.778 . . . . 1.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 1.134 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -56.38 -53.7 54.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 1.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.822 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -72.04 -35.32 69.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 1.0 110.367 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.634 ' CA ' ' HG2' ' A' ' 24' ' ' GLN . 1.5 tt -40.8 -51.72 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 1.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.726 HD23 ' O ' ' A' ' 18' ' ' PRO . 0.4 OUTLIER -72.46 -52.68 14.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.134 HG13 ' O ' ' A' ' 19' ' ' ALA . 0.7 OUTLIER -55.99 -45.85 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 1.0 109.277 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.805 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.0 pt20 -57.82 -38.72 76.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 1.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.816 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -84.01 -25.68 29.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 1.0 110.433 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.766 ' CB ' HD12 ' A' ' 33' ' ' ILE . . . -86.88 -33.94 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 1.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.718 ' N ' ' O ' ' A' ' 23' ' ' VAL . 36.2 t -93.66 39.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 1.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.791 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -143.7 23.36 1.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 1.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.816 ' CZ ' ' O ' ' A' ' 25' ' ' THR . 21.9 m-85 -116.42 128.28 55.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 1.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -50.84 -16.01 0.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 1.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.597 ' CB ' ' HA3' ' A' ' 67' ' ' GLY . 32.5 p -104.22 -177.74 3.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 1.0 110.039 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.77 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -86.76 155.51 20.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 1.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 1.069 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -179.47 117.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 1.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.568 ' HB3' ' C ' ' A' ' 42' ' ' VAL . 23.9 m-20 -130.74 179.71 5.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 1.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.873 HD12 ' N ' ' A' ' 36' ' ' GLU . 0.2 OUTLIER -119.29 148.19 43.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.924 ' N ' ' O ' ' A' ' 62' ' ' THR . 0.2 OUTLIER -128.42 115.38 18.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 1.0 110.278 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 1.297 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.8 t80 -118.89 124.17 46.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 1.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.655 ' CG ' ' CE1' ' A' ' 37' ' ' TYR . 9.8 mtmt 72.86 0.63 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 1.0 109.343 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.43 -1.87 22.09 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.547 1.154 . . . . 1.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.945 ' HB3' HD11 ' A' ' 53' ' ' LEU . 10.8 tttt -96.83 108.11 20.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 0.735 . . . . 1.0 109.354 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.594 ' CB ' ' HB2' ' A' ' 36' ' ' GLU . 4.2 p -101.38 116.19 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 1.0 109.981 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.603 ' O ' ' N ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -146.15 147.42 18.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 1.0 109.291 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 1.019 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.7 OUTLIER -41.68 89.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 1.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.723 HD13 ' HB3' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -23.39 -38.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 1.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.761 ' N ' ' O ' ' A' ' 43' ' ' ASN . 1.0 OUTLIER -74.78 9.89 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 1.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 1.019 ' N ' ' O ' ' A' ' 43' ' ' ASN . 3.7 t -93.43 78.32 4.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 1.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.803 ' O ' ' N ' ' A' ' 51' ' ' MET . 1.0 OUTLIER -41.21 -59.47 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 1.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.594 ' N ' ' CG2' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -39.92 -68.55 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 1.0 110.962 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.86 ' O ' ' NZ ' ' A' ' 40' ' ' LYS . . . -57.4 -55.25 31.43 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 1.0 110.997 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.544 ' O ' ' N ' ' A' ' 53' ' ' LEU . 0.9 OUTLIER -56.27 -50.17 72.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 0.731 . . . . 1.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.803 ' N ' ' O ' ' A' ' 47' ' ' ILE . 5.8 tpp -40.81 -54.11 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 1.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.475 ' OG ' ' NZ ' ' A' ' 40' ' ' LYS . 1.1 p -64.57 -24.89 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 1.0 109.957 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.297 HD22 ' CD2' ' A' ' 37' ' ' TYR . 2.1 mt -94.25 -93.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 1.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.613 ' O ' ' CE2' ' A' ' 37' ' ' TYR . . . 63.62 137.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.148 . . . . 1.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.026 HG12 ' CB ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -124.54 -171.84 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 1.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.778 ' HA3' ' HA2' ' A' ' 13' ' ' GLY . . . 157.13 -86.21 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 1.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.691 ' O ' ' N ' ' A' ' 59' ' ' SER . 5.9 pt20 -40.98 80.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 1.0 110.273 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.893 ' O ' ' CE1' ' A' ' 7' ' ' HIS . . . 41.8 11.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.438 1.086 . . . . 1.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 1.026 ' CB ' HG12 ' A' ' 55' ' ' VAL . 27.3 m -48.45 165.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 0.762 . . . . 1.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.823 ' HA ' ' HA ' ' A' ' 7' ' ' HIS . 2.7 p30 -125.69 143.93 50.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.89 ' O ' ' O ' ' A' ' 6' ' ' PHE . 35.5 m -146.89 174.61 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 1.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.924 ' O ' ' N ' ' A' ' 36' ' ' GLU . 0.9 OUTLIER -129.81 141.44 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 110.417 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.739 HG21 HG21 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -112.79 148.67 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 1.0 109.277 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 1.069 ' O ' ' HA ' ' A' ' 33' ' ' ILE . 1.5 m -133.18 139.46 47.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 110.453 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.054 HG22 ' HA ' ' A' ' 70' ' ' GLU . 3.7 p -132.66 124.9 51.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 1.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.77 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -138.29 123.06 18.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.597 ' HA3' ' CB ' ' A' ' 31' ' ' SER . . . 137.72 -163.62 25.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 1.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' A' ' 70' ' ' GLU . . . -69.43 -53.69 18.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 0.743 . . . . 1.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.648 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -60.62 -21.33 62.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 1.0 109.251 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 1.054 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.1 pp20? -14.7 -58.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 1.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 69' ' ' ASP . . . -61.06 -76.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 1.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.548 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -46.02 -50.18 15.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 1.0 110.331 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.698 ' HA2' ' CD1' ' A' ' 29' ' ' PHE . . . -43.84 -76.32 0.12 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 1.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 1.103 ' O ' HG23 ' A' ' 78' ' ' VAL . 1.9 ppp? -50.17 -43.14 52.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 1.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.575 ' N ' ' SD ' ' A' ' 74' ' ' MET . . . -41.43 -61.48 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 1.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.805 ' HB3' ' HZ ' ' A' ' 29' ' ' PHE . . . -52.13 -61.11 2.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 1.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.739 HG21 HG21 ' A' ' 63' ' ' ILE . 0.4 OUTLIER -44.51 -56.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 1.0 109.273 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.103 HG23 ' O ' ' A' ' 74' ' ' MET . 5.4 t -51.55 -61.68 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 1.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.923 ' O ' ' HB3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -52.95 -46.93 68.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 1.0 110.317 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.623 HG22 HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -60.83 -44.85 96.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 1.0 110.402 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.948 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -48.95 -46.46 43.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 1.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -93.98 -14.37 25.99 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 1.0 110.289 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.923 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -81.59 -42.45 20.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 1.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.561 ' CD ' HD11 ' A' ' 21' ' ' LEU . 9.5 mm-40 -90.78 12.08 20.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 1.0 110.342 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.479 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 54.93 14.59 5.65 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.536 1.148 . . . . 1.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.015 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -73.15 -44.2 60.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 1.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.948 ' HB3' ' HB3' ' A' ' 81' ' ' LEU . . . -134.07 163.76 28.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 1.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.783 ' HB3' HG11 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -95.78 -176.79 3.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 1.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.409 ' HA ' ' OE1' ' A' ' 82' ' ' GLN . 13.9 mp0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 1.0 110.282 -179.966 . . . . . . . . 1 1 . 1 stop_ save_